1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine

C21H42N2 — CID 19938538

IUPAC1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine
SMILESCCC1CCC(CC)C(N)(CC2(N)CC(CC)CCC2CC)C1
InChIInChI=1S/C21H42N2/c1-5-16-9-11-18(7-3)20(22,13-16)15-21(23)14-17(6-2)10-12-19(21)8-4/h16-19H,5-15,22-23H2,1-4H3
InChIKeyASBSDXHEEQMPIS-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.24
Rot. Bonds6

About 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine

1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine (PubChem CID 19938538) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine
PubChem CID19938538
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine
SMILESCCC1CCC(CC)C(N)(CC2(N)CC(CC)CCC2CC)C1
InChIInChI=1S/C21H42N2/c1-5-16-9-11-18(7-3)20(22,13-16)15-21(23)14-17(6-2)10-12-19(21)8-4/h16-19H,5-15,22-23H2,1-4H3
InChIKeyASBSDXHEEQMPIS-UHFFFAOYSA-N
XLogP5.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine (CID 19938538) is 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine is CCC1CCC(CC)C(N)(CC2(N)CC(CC)CCC2CC)C1.
What is the InChIKey of 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine?
The InChIKey is ASBSDXHEEQMPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-5-16-9-11-18(7-3)20(22,13-16)15-21(23)14-17(6-2)10-12-19(21)8-4/h16-19H,5-15,22-23H2,1-4H3.
What are the key properties of 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine?
1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-2,5-diethylcyclohexyl)methyl]-2,5-diethylcyclohexan-1-amine is sourced from PubChem (CID 19938538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).