N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine

C24H49N3 — CID 90674840

IUPACN'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine
SMILESCN(CCCNCCCN)C(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C24H49N3/c1-27(21-9-20-26-19-8-18-25)24(16-14-22-10-4-2-5-11-22)17-15-23-12-6-3-7-13-23/h22-24,26H,2-21,25H2,1H3
InChIKeyWMHDOJHUKMVAOY-UHFFFAOYSA-N
MW379.68 g/mol
LogP5.34
Rot. Bonds14

About N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine

N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine (PubChem CID 90674840) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine
PubChem CID90674840
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC NameN'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine
SMILESCN(CCCNCCCN)C(CCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C24H49N3/c1-27(21-9-20-26-19-8-18-25)24(16-14-22-10-4-2-5-11-22)17-15-23-12-6-3-7-13-23/h22-24,26H,2-21,25H2,1H3
InChIKeyWMHDOJHUKMVAOY-UHFFFAOYSA-N
XLogP5.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
N'-[3-(1,3-dicyclohexylpropan-2-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674828
N'-[3-(1,5-dicyclohexylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674830
N'-[3-(1,7-dicyclohexylheptan-4-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674831
N'-[3-(1,9-dicyclohexylnonan-5-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674832
N'-[2-(1,5-dicyclohexylpentan-3-ylamino)ethyl]ethane-1,2-diamine;hydrochloride
CID 90674834
N'-[2-[2-(1,5-dicyclohexylpentan-3-ylamino)ethylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 90674836

Frequently Asked Questions

What is the IUPAC name of N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine (CID 90674840) is N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine is CN(CCCNCCCN)C(CCC1CCCCC1)CCC1CCCCC1.
What is the InChIKey of N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine?
The InChIKey is WMHDOJHUKMVAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3/c1-27(21-9-20-26-19-8-18-25)24(16-14-22-10-4-2-5-11-22)17-15-23-12-6-3-7-13-23/h22-24,26H,2-21,25H2,1H3.
What are the key properties of N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine?
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine has a molecular weight of 379.68 g/mol, XLogP of 5.34, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 90674840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).