tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine

C36H102N10OS2 — CID 158827880

IUPACtris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine
SMILESC.CCCCCN.CCCCN.CCCCN.CCCCN.CCCN.CNCCCN.COCCCN.CSCCCN.CSCCN
InChIInChI=1S/C5H13N.C4H12N2.C4H11NO.C4H11NS.3C4H11N.C3H9NS.C3H9N.CH4/c1-2-3-4-5-6;3*1-6-4-2-3-5;3*1-2-3-4-5;1-5-3-2-4;1-2-3-4;/h2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;3*2-5H2,1H3;2-4H2,1H3;2-4H2,1H3;1H4
InChIKeyIWRBURNOKORREE-UHFFFAOYSA-N
MW755.41 g/mol
LogP4.90
Rot. Bonds21

About tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine

tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine (PubChem CID 158827880) has the molecular formula C36H102N10OS2 and a molecular weight of 755.41 g/mol. Its IUPAC name is tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine.

Molecular Properties

Compound Nametris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine
PubChem CID158827880
Molecular FormulaC36H102N10OS2
Molecular Weight755.41 g/mol
Exact Mass754.77
IUPAC Nametris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine
SMILESC.CCCCCN.CCCCN.CCCCN.CCCCN.CCCN.CNCCCN.COCCCN.CSCCCN.CSCCN
InChIInChI=1S/C5H13N.C4H12N2.C4H11NO.C4H11NS.3C4H11N.C3H9NS.C3H9N.CH4/c1-2-3-4-5-6;3*1-6-4-2-3-5;3*1-2-3-4-5;1-5-3-2-4;1-2-3-4;/h2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;3*2-5H2,1H3;2-4H2,1H3;2-4H2,1H3;1H4
InChIKeyIWRBURNOKORREE-UHFFFAOYSA-N
XLogP4.90
TPSA255.44 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500755.41
LogP ≤ 54.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine
CID 159339415
3-methoxypropan-1-amine;N-methylmethanamine
CID 175098643
1-methoxybutane;N-methylmethanamine
CID 144512984
methane;7-methoxyheptan-1-amine
CID 160693233
CID 87425929
CID 87425929
azane;3-methoxypropan-1-amine
CID 172866087
N-methyl-5-methylsulfanylpentan-1-amine
CID 58719975
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
methane;1-methylsulfanyloctadecane
CID 167697996
4-(3-methoxypropylsulfanyl)butan-1-amine
CID 63856674
N'-(3-methylsulfanylpropyl)butane-1,4-diamine
CID 60895256
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine?
The IUPAC name of tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine (CID 158827880) is tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine.
What is the SMILES notation for tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine?
The canonical SMILES for tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine is C.CCCCCN.CCCCN.CCCCN.CCCCN.CCCN.CNCCCN.COCCCN.CSCCCN.CSCCN.
What is the InChIKey of tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine?
The InChIKey is IWRBURNOKORREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C4H12N2.C4H11NO.C4H11NS.3C4H11N.C3H9NS.C3H9N.CH4/c1-2-3-4-5-6;3*1-6-4-2-3-5;3*1-2-3-4-5;1-5-3-2-4;1-2-3-4;/h2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;3*2-5H2,1H3;2-4H2,1H3;2-4H2,1H3;1H4.
What are the key properties of tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine?
tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine has a molecular weight of 755.41 g/mol, XLogP of 4.90, 21 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-amine);methane;3-methoxypropan-1-amine;N'-methylpropane-1,3-diamine;2-methylsulfanylethanamine;3-methylsulfanylpropan-1-amine;pentan-1-amine;propan-1-amine is sourced from PubChem (CID 158827880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).