N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine

C13H28N2S — CID 112665952

IUPACN-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
SMILESCSCC(C)N(C)CCCCCNC1CC1
InChIInChI=1S/C13H28N2S/c1-12(11-16-3)15(2)10-6-4-5-9-14-13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyCUNZLONWYGJCCE-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds10

About N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine

N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine (PubChem CID 112665952) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
PubChem CID112665952
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
SMILESCSCC(C)N(C)CCCCCNC1CC1
InChIInChI=1S/C13H28N2S/c1-12(11-16-3)15(2)10-6-4-5-9-14-13-7-8-13/h12-14H,4-11H2,1-3H3
InChIKeyCUNZLONWYGJCCE-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112661279
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
CID 112661084
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
1-N-cyclopropyl-3-N-methyl-3-N-propylbutane-1,3-diamine
CID 62418497
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine (CID 112665952) is N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine is CSCC(C)N(C)CCCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
The InChIKey is CUNZLONWYGJCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-12(11-16-3)15(2)10-6-4-5-9-14-13-7-8-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine has a molecular weight of 244.45 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 112665952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).