tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine

C19H55N5S — CID 159339415

IUPACtris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine
SMILESC.CCCCN.CCCCN.CCCCN.CCCN.CSCCN
InChIInChI=1S/3C4H11N.C3H9NS.C3H9N.CH4/c3*1-2-3-4-5;1-5-3-2-4;1-2-3-4;/h3*2-5H2,1H3;2-4H2,1H3;2-4H2,1H3;1H4
InChIKeyLFYKSSCQQNFSDW-UHFFFAOYSA-N
MW385.75 g/mol
LogP3.53
Rot. Bonds9

About tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine

tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine (PubChem CID 159339415) has the molecular formula C19H55N5S and a molecular weight of 385.75 g/mol. Its IUPAC name is tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine.

Molecular Properties

Compound Nametris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine
PubChem CID159339415
Molecular FormulaC19H55N5S
Molecular Weight385.75 g/mol
Exact Mass385.42
IUPAC Nametris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine
SMILESC.CCCCN.CCCCN.CCCCN.CCCN.CSCCN
InChIInChI=1S/3C4H11N.C3H9NS.C3H9N.CH4/c3*1-2-3-4-5;1-5-3-2-4;1-2-3-4;/h3*2-5H2,1H3;2-4H2,1H3;2-4H2,1H3;1H4
InChIKeyLFYKSSCQQNFSDW-UHFFFAOYSA-N
XLogP3.53
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.75
LogP ≤ 53.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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
methanol;2-methylsulfanylethanamine
CID 159726964
CID 159237160
CID 159237160
tris(butan-1-amine);methylsilane
CID 161377074
methane;1-methylsulfanyloctadecane
CID 167697996
azane;butan-1-amine;ethane;hydrate
CID 159979344
dodecan-1-amine;methane
CID 87204504
butan-1-amine;dodecan-1-amine
CID 158532895
butan-1-amine;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 20569147
butan-1-amine;hydroxy(oxo)phosphanium
CID 173106427
butan-1-amine;dichlorogermane
CID 174998668
tetrakis(butan-1-amine);tetraiodoplumbane
CID 170458283

Frequently Asked Questions

What is the IUPAC name of tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine?
The IUPAC name of tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine (CID 159339415) is tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine.
What is the SMILES notation for tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine?
The canonical SMILES for tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine is C.CCCCN.CCCCN.CCCCN.CCCN.CSCCN.
What is the InChIKey of tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine?
The InChIKey is LFYKSSCQQNFSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H11N.C3H9NS.C3H9N.CH4/c3*1-2-3-4-5;1-5-3-2-4;1-2-3-4;/h3*2-5H2,1H3;2-4H2,1H3;2-4H2,1H3;1H4.
What are the key properties of tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine?
tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine has a molecular weight of 385.75 g/mol, XLogP of 3.53, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-amine);methane;2-methylsulfanylethanamine;propan-1-amine is sourced from PubChem (CID 159339415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).