4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine

C15H32N2 — CID 80557958

IUPAC4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
SMILESCCCCCC(C)N(CC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2/c1-4-6-7-8-13(3)17(5-2)15-11-9-14(16)10-12-15/h13-15H,4-12,16H2,1-3H3
InChIKeyDBZAGSQXHVCGQI-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.55
Rot. Bonds7

About 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine

4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine (PubChem CID 80557958) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
PubChem CID80557958
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine
SMILESCCCCCC(C)N(CC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2/c1-4-6-7-8-13(3)17(5-2)15-11-9-14(16)10-12-15/h13-15H,4-12,16H2,1-3H3
InChIKeyDBZAGSQXHVCGQI-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.55
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-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
CID 103189119
N-ethyl-N-nonan-2-ylpyrrolidin-3-amine
CID 63299683
N-ethyl-N-octan-2-ylpyrrolidin-3-amine
CID 63299767
4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79115733
2-N-cyclopropyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465210
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
CID 150327650
3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62420912
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433
4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62430254
4-methylcyclohexan-1-amine;undecane
CID 175032759

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine (CID 80557958) is 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine is CCCCCC(C)N(CC)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine?
The InChIKey is DBZAGSQXHVCGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-6-7-8-13(3)17(5-2)15-11-9-14(16)10-12-15/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine?
4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-heptan-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 80557958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).