3,3-dimethylcyclohexan-1-amine

C8H17N — CID 15753752

IUPAC3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)C1
InChIInChI=1S/C8H17N/c1-8(2)5-3-4-7(9)6-8/h7H,3-6,9H2,1-2H3
InChIKeyDUMSDLPWUAVLJQ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds

About 3,3-dimethylcyclohexan-1-amine

3,3-dimethylcyclohexan-1-amine (PubChem CID 15753752) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethylcyclohexan-1-amine
PubChem CID15753752
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(N)C1
InChIInChI=1S/C8H17N/c1-8(2)5-3-4-7(9)6-8/h7H,3-6,9H2,1-2H3
InChIKeyDUMSDLPWUAVLJQ-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 3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 3,3-dimethylcyclohexan-1-amine (CID 15753752) is 3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 3,3-dimethylcyclohexan-1-amine is CC1(C)CCCC(N)C1.
What is the InChIKey of 3,3-dimethylcyclohexan-1-amine?
The InChIKey is DUMSDLPWUAVLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)5-3-4-7(9)6-8/h7H,3-6,9H2,1-2H3.
What are the key properties of 3,3-dimethylcyclohexan-1-amine?
3,3-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 3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 15753752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).