1,4-dimethylcyclohexan-1-amine

C8H17N — CID 43809378

IUPAC1,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)(N)CC1
InChIInChI=1S/C8H17N/c1-7-3-5-8(2,9)6-4-7/h7H,3-6,9H2,1-2H3
InChIKeyOZPKMRTYWAJVAR-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds

About 1,4-dimethylcyclohexan-1-amine

1,4-dimethylcyclohexan-1-amine (PubChem CID 43809378) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1,4-dimethylcyclohexan-1-amine
PubChem CID43809378
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)(N)CC1
InChIInChI=1S/C8H17N/c1-7-3-5-8(2,9)6-4-7/h7H,3-6,9H2,1-2H3
InChIKeyOZPKMRTYWAJVAR-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1,4-dimethylcyclohexan-1-amine (CID 43809378) is 1,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1,4-dimethylcyclohexan-1-amine is CC1CCC(C)(N)CC1.
What is the InChIKey of 1,4-dimethylcyclohexan-1-amine?
The InChIKey is OZPKMRTYWAJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7-3-5-8(2,9)6-4-7/h7H,3-6,9H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexan-1-amine?
1,4-dimethylcyclohexan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43809378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).