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

C21H42N2 — CID 22286878

IUPAC1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine
SMILESCCC1(CC)CCCCC1(N)CC1(N)CCCCC1(CC)CC
InChIInChI=1S/C21H42N2/c1-5-18(6-2)13-9-11-15-20(18,22)17-21(23)16-12-10-14-19(21,7-3)8-4/h5-17,22-23H2,1-4H3
InChIKeyJAEJDECUMGVDKW-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.53
Rot. Bonds6

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

1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine (PubChem CID 22286878) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine
PubChem CID22286878
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine
SMILESCCC1(CC)CCCCC1(N)CC1(N)CCCCC1(CC)CC
InChIInChI=1S/C21H42N2/c1-5-18(6-2)13-9-11-15-20(18,22)17-21(23)16-12-10-14-19(21,7-3)8-4/h5-17,22-23H2,1-4H3
InChIKeyJAEJDECUMGVDKW-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 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine (CID 22286878) is 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine is CCC1(CC)CCCCC1(N)CC1(N)CCCCC1(CC)CC.
What is the InChIKey of 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine?
The InChIKey is JAEJDECUMGVDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-5-18(6-2)13-9-11-15-20(18,22)17-21(23)16-12-10-14-19(21,7-3)8-4/h5-17,22-23H2,1-4H3.
What are the key properties of 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine?
1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-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 1-[(1-amino-2,2-diethylcyclohexyl)methyl]-2,2-diethylcyclohexan-1-amine is sourced from PubChem (CID 22286878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).