N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine

C12H27N3 — CID 143996917

IUPACN'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCC1CCC(CN)CC1
InChIInChI=1S/C12H27N3/c1-14-7-2-8-15-10-12-5-3-11(9-13)4-6-12/h11-12,14-15H,2-10,13H2,1H3
InChIKeyUSRCHXIHSVVKSL-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.95
Rot. Bonds7

About N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine

N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine (PubChem CID 143996917) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
PubChem CID143996917
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCC1CCC(CN)CC1
InChIInChI=1S/C12H27N3/c1-14-7-2-8-15-10-12-5-3-11(9-13)4-6-12/h11-12,14-15H,2-10,13H2,1H3
InChIKeyUSRCHXIHSVVKSL-UHFFFAOYSA-N
XLogP0.95
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
CID 18175301
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
CID 142934377
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
N-[[4-(aminomethyl)cyclohexyl]methyl]-N'-hexan-3-ylpropane-1,3-diamine;ethane;molecular hydrogen
CID 143882693
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
(E)-N,N'-bis[3-(cyclopropylmethylamino)propyl]but-2-ene-1,4-diamine
CID 19956427
N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
CID 175555316
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine (CID 143996917) is N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine is CNCCCNCC1CCC(CN)CC1.
What is the InChIKey of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine?
The InChIKey is USRCHXIHSVVKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-14-7-2-8-15-10-12-5-3-11(9-13)4-6-12/h11-12,14-15H,2-10,13H2,1H3.
What are the key properties of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine?
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 143996917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).