N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine

C19H38N2 — CID 21396646

IUPACN'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine
SMILESNCCNC(CCCCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H38N2/c20-15-16-21-19(18-12-5-2-6-13-18)14-8-7-11-17-9-3-1-4-10-17/h17-19,21H,1-16,20H2
InChIKeyGKPONCJYKVSSKC-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.62
Rot. Bonds9

About N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine

N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine (PubChem CID 21396646) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine
PubChem CID21396646
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine
SMILESNCCNC(CCCCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H38N2/c20-15-16-21-19(18-12-5-2-6-13-18)14-8-7-11-17-9-3-1-4-10-17/h17-19,21H,1-16,20H2
InChIKeyGKPONCJYKVSSKC-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.62
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

N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
CID 159351931
N-(3-aminopropyl)-1-cyclohexyl-N'-methylpropane-1,3-diamine
CID 169227867
N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
CID 126513357
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
6-cyclohexylhexan-1-amine
CID 19875455
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1,3-dicyclopentylpropylhydrazine
CID 105282449
4-cyclopentylbutylcyclohexane
CID 144547696
N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
7-cyclohexylheptan-3-ylcyclohexane
CID 90866446
1-cyclohexylhexylhydrazine
CID 105201926
3-cycloheptyl-1-cyclopropyl-N-ethylpropan-1-amine
CID 82924608

Frequently Asked Questions

What is the IUPAC name of N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine (CID 21396646) is N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine is NCCNC(CCCCC1CCCCC1)C1CCCCC1.
What is the InChIKey of N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine?
The InChIKey is GKPONCJYKVSSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c20-15-16-21-19(18-12-5-2-6-13-18)14-8-7-11-17-9-3-1-4-10-17/h17-19,21H,1-16,20H2.
What are the key properties of N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine?
N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-dicyclohexylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 21396646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).