4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine

C19H38N2 — CID 20515298

IUPAC4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCCC1CC(CC2CC(C)C(N)C(C)C2)CC(CC)C1N
InChIInChI=1S/C19H38N2/c1-5-16-10-15(11-17(6-2)19(16)21)9-14-7-12(3)18(20)13(4)8-14/h12-19H,5-11,20-21H2,1-4H3
InChIKeyHWTYVAISKZHLAH-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.18
Rot. Bonds4

About 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine

4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 20515298) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID20515298
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCCC1CC(CC2CC(C)C(N)C(C)C2)CC(CC)C1N
InChIInChI=1S/C19H38N2/c1-5-16-10-15(11-17(6-2)19(16)21)9-14-7-12(3)18(20)13(4)8-14/h12-19H,5-11,20-21H2,1-4H3
InChIKeyHWTYVAISKZHLAH-UHFFFAOYSA-N
XLogP4.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine (CID 20515298) is 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine is CCC1CC(CC2CC(C)C(N)C(C)C2)CC(CC)C1N.
What is the InChIKey of 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is HWTYVAISKZHLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-16-10-15(11-17(6-2)19(16)21)9-14-7-12(3)18(20)13(4)8-14/h12-19H,5-11,20-21H2,1-4H3.
What are the key properties of 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine?
4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-diethylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 20515298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).