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

C18H37N3 — CID 70964455

IUPACN'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
SMILESNCC1CCC(CNCCCNCC2CCCCC2)CC1
InChIInChI=1S/C18H37N3/c19-13-16-7-9-18(10-8-16)15-21-12-4-11-20-14-17-5-2-1-3-6-17/h16-18,20-21H,1-15,19H2
InChIKeyHQCYPSIYIQJIGO-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.90
Rot. Bonds9

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

N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine (PubChem CID 70964455) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
PubChem CID70964455
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
SMILESNCC1CCC(CNCCCNCC2CCCCC2)CC1
InChIInChI=1S/C18H37N3/c19-13-16-7-9-18(10-8-16)15-21-12-4-11-20-14-17-5-2-1-3-6-17/h16-18,20-21H,1-15,19H2
InChIKeyHQCYPSIYIQJIGO-UHFFFAOYSA-N
XLogP2.90
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.90
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-methylpropane-1,3-diamine
CID 143996917
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
CID 18175301
5-(cycloheptylmethylamino)pentanamide
CID 106233402
cyclohexylmethanamine;methanol
CID 70430105
cyclohexylmethanamine;hydrobromide
CID 13001131
cyclohexylmethanamine;hydrochloride
CID 3039618
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine?
The IUPAC name of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine (CID 70964455) is N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine is NCC1CCC(CNCCCNCC2CCCCC2)CC1.
What is the InChIKey of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine?
The InChIKey is HQCYPSIYIQJIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c19-13-16-7-9-18(10-8-16)15-21-12-4-11-20-14-17-5-2-1-3-6-17/h16-18,20-21H,1-15,19H2.
What are the key properties of N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine?
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine has a molecular weight of 295.51 g/mol, XLogP of 2.90, 9 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-(cyclohexylmethyl)propane-1,3-diamine is sourced from PubChem (CID 70964455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).