(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine

C14H23NO — CID 104989300

IUPAC(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)C2CCC(C)C(C)C2)co1
InChIInChI=1S/C14H23NO/c1-9-4-5-12(6-10(9)2)14(15)13-7-11(3)16-8-13/h7-10,12,14H,4-6,15H2,1-3H3
InChIKeyWJQCFSBNNXDZKX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.66
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine

(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine (PubChem CID 104989300) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
PubChem CID104989300
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)C2CCC(C)C(C)C2)co1
InChIInChI=1S/C14H23NO/c1-9-4-5-12(6-10(9)2)14(15)13-7-11(3)16-8-13/h7-10,12,14H,4-6,15H2,1-3H3
InChIKeyWJQCFSBNNXDZKX-UHFFFAOYSA-N
XLogP3.66
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64740034
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
CID 64738631
(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
CID 64740038
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989591
(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441
(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105154535
(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502825

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine (CID 104989300) is (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine is Cc1cc(C(N)C2CCC(C)C(C)C2)co1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine?
The InChIKey is WJQCFSBNNXDZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-4-5-12(6-10(9)2)14(15)13-7-11(3)16-8-13/h7-10,12,14H,4-6,15H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine?
(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 104989300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).