4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine

C19H40N2 — CID 63469963

IUPAC4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCCN(C(C)C)C1CC(CC)CCC1NCCC
InChIInChI=1S/C19H40N2/c1-6-9-10-14-21(16(4)5)19-15-17(8-3)11-12-18(19)20-13-7-2/h16-20H,6-15H2,1-5H3
InChIKeyJJIBBYPVOSSHAH-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.83
Rot. Bonds10

About 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine

4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 63469963) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
PubChem CID63469963
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCCCN(C(C)C)C1CC(CC)CCC1NCCC
InChIInChI=1S/C19H40N2/c1-6-9-10-14-21(16(4)5)19-15-17(8-3)11-12-18(19)20-13-7-2/h16-20H,6-15H2,1-5H3
InChIKeyJJIBBYPVOSSHAH-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469605
1-N-pentyl-1-N-propan-2-yl-2-N-propylcycloheptane-1,2-diamine
CID 63469786
2-N,4-diethyl-2-N-(2-ethylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63468498
4-ethyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 63467792
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 63983791
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
CID 63468526
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 63469797
4-ethyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483081

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine (CID 63469963) is 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is CCCCCN(C(C)C)C1CC(CC)CCC1NCCC.
What is the InChIKey of 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is JJIBBYPVOSSHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-9-10-14-21(16(4)5)19-15-17(8-3)11-12-18(19)20-13-7-2/h16-20H,6-15H2,1-5H3.
What are the key properties of 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine?
4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63469963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).