N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine

C17H34N2 — CID 78991158

IUPACN-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CCCNC1CCCCC1)C1CC1
InChIInChI=1S/C17H34N2/c1-15(2)11-14-19(17-9-10-17)13-6-12-18-16-7-4-3-5-8-16/h15-18H,3-14H2,1-2H3
InChIKeyGDCGQTXNZLNPKN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds9

About N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine

N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine (PubChem CID 78991158) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
PubChem CID78991158
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCN(CCCNC1CCCCC1)C1CC1
InChIInChI=1S/C17H34N2/c1-15(2)11-14-19(17-9-10-17)13-6-12-18-16-7-4-3-5-8-16/h15-18H,3-14H2,1-2H3
InChIKeyGDCGQTXNZLNPKN-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62568594
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 79490291
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine (CID 78991158) is N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine is CC(C)CCN(CCCNC1CCCCC1)C1CC1.
What is the InChIKey of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is GDCGQTXNZLNPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)11-14-19(17-9-10-17)13-6-12-18-16-7-4-3-5-8-16/h15-18H,3-14H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine?
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 78991158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).