(3,3-dimethylcyclohexyl)methanamine

C9H19N — CID 22484455

IUPAC(3,3-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCCC(CN)C1
InChIInChI=1S/C9H19N/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-7,10H2,1-2H3
InChIKeyLWKSMALURDOKBD-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds1

About (3,3-dimethylcyclohexyl)methanamine

(3,3-dimethylcyclohexyl)methanamine (PubChem CID 22484455) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3,3-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,3-dimethylcyclohexyl)methanamine
PubChem CID22484455
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3,3-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCCC(CN)C1
InChIInChI=1S/C9H19N/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-7,10H2,1-2H3
InChIKeyLWKSMALURDOKBD-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclohexyl)methanamine?
The IUPAC name of (3,3-dimethylcyclohexyl)methanamine (CID 22484455) is (3,3-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (3,3-dimethylcyclohexyl)methanamine?
The canonical SMILES for (3,3-dimethylcyclohexyl)methanamine is CC1(C)CCCC(CN)C1.
What is the InChIKey of (3,3-dimethylcyclohexyl)methanamine?
The InChIKey is LWKSMALURDOKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-7,10H2,1-2H3.
What are the key properties of (3,3-dimethylcyclohexyl)methanamine?
(3,3-dimethylcyclohexyl)methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 22484455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).