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

C21H42N2 — CID 68739353

IUPAC2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
SMILESCCC1(N)CCCCC1(CC)CC1(CC)CCCCC1(N)CC
InChIInChI=1S/C21H42N2/c1-5-18(13-9-11-15-20(18,22)7-3)17-19(6-2)14-10-12-16-21(19,23)8-4/h5-17,22-23H2,1-4H3
InChIKeyVIKHBIAQHZJTQL-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.53
Rot. Bonds6

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

2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine (PubChem CID 68739353) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
PubChem CID68739353
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine
SMILESCCC1(N)CCCCC1(CC)CC1(CC)CCCCC1(N)CC
InChIInChI=1S/C21H42N2/c1-5-18(13-9-11-15-20(18,22)7-3)17-19(6-2)14-10-12-16-21(19,23)8-4/h5-17,22-23H2,1-4H3
InChIKeyVIKHBIAQHZJTQL-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine?
The IUPAC name of 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine (CID 68739353) is 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine is CCC1(N)CCCCC1(CC)CC1(CC)CCCCC1(N)CC.
What is the InChIKey of 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine?
The InChIKey is VIKHBIAQHZJTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-5-18(13-9-11-15-20(18,22)7-3)17-19(6-2)14-10-12-16-21(19,23)8-4/h5-17,22-23H2,1-4H3.
What are the key properties of 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine?
2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine has a molecular weight of 322.58 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,2-diethylcyclohexyl)methyl]-1,2-diethylcyclohexan-1-amine is sourced from PubChem (CID 68739353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).