N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine

C18H37N3 — CID 23423563

IUPACN'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine
SMILESCC1CCCCC1NCCNCCNC1CCCCC1C
InChIInChI=1S/C18H37N3/c1-15-7-3-5-9-17(15)20-13-11-19-12-14-21-18-10-6-4-8-16(18)2/h15-21H,3-14H2,1-2H3
InChIKeyPRULLSXYDONINI-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.91
Rot. Bonds8

About N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine

N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 23423563) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine
PubChem CID23423563
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine
SMILESCC1CCCCC1NCCNCCNC1CCCCC1C
InChIInChI=1S/C18H37N3/c1-15-7-3-5-9-17(15)20-13-11-19-12-14-21-18-10-6-4-8-16(18)2/h15-21H,3-14H2,1-2H3
InChIKeyPRULLSXYDONINI-UHFFFAOYSA-N
XLogP2.91
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.91
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'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
CID 46203796
4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(R)-N2-(2-cyclopentylethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482209
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
N'-(2-adamantyl)-N-(3,7,11-trimethyldodecyl)ethane-1,2-diamine
CID 46203798
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
N'-[2-[2-(1,7-dicyclohexylheptan-4-ylamino)ethylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 90674837
3-methyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
CID 20454197
4,4'-Methylenebis[2-methyl-N-(1-methylpropyl)cyclohexanamine]
CID 21885475

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine (CID 23423563) is N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine is CC1CCCCC1NCCNCCNC1CCCCC1C.
What is the InChIKey of N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is PRULLSXYDONINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15-7-3-5-9-17(15)20-13-11-19-12-14-21-18-10-6-4-8-16(18)2/h15-21H,3-14H2,1-2H3.
What are the key properties of N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine?
N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 295.51 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylcyclohexyl)-N-[2-[(2-methylcyclohexyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 23423563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).