N'-(3-methylcyclohexyl)propane-1,3-diamine

C10H22N2 — CID 60889312

IUPACN'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(NCCCN)C1
InChIInChI=1S/C10H22N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h9-10,12H,2-8,11H2,1H3
InChIKeyKJUIXNMHXVQIBL-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.50
Rot. Bonds4

About N'-(3-methylcyclohexyl)propane-1,3-diamine

N'-(3-methylcyclohexyl)propane-1,3-diamine (PubChem CID 60889312) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-(3-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylcyclohexyl)propane-1,3-diamine
PubChem CID60889312
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(NCCCN)C1
InChIInChI=1S/C10H22N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h9-10,12H,2-8,11H2,1H3
InChIKeyKJUIXNMHXVQIBL-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 115654251
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773
3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65163773
3,3-dimethyl-N'-(3-methylcyclopentyl)hexane-1,6-diamine
CID 114547293
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N'-cyclopropylpropane-1,3-diamine
CID 44784906
3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
CID 63726355

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-(3-methylcyclohexyl)propane-1,3-diamine (CID 60889312) is N'-(3-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methylcyclohexyl)propane-1,3-diamine is CC1CCCC(NCCCN)C1.
What is the InChIKey of N'-(3-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is KJUIXNMHXVQIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N'-(3-methylcyclohexyl)propane-1,3-diamine?
N'-(3-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 60889312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).