(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine

C14H23NO — CID 104789698

IUPAC(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)C1CC(C)CC(C)C1
InChIInChI=1S/C14H23NO/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(13)3/h4-5,9-10,12,14H,6-8,15H2,1-3H3
InChIKeyPVODLLYBVSVDDV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.66
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine

(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 104789698) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine
PubChem CID104789698
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)C1CC(C)CC(C)C1
InChIInChI=1S/C14H23NO/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(13)3/h4-5,9-10,12,14H,6-8,15H2,1-3H3
InChIKeyPVODLLYBVSVDDV-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 (3,5-dimethylcyclohexyl)-(2-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

1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789923
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 104789652
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
CID 104988996
(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine
CID 104989005
(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine
CID 106692204
(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol
CID 106859285
1-(2-methylfuran-3-yl)butan-1-amine
CID 82416832
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
1-cyclopropyl-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789875
N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790058

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine (CID 104789698) is (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)C1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is PVODLLYBVSVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(13)3/h4-5,9-10,12,14H,6-8,15H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine?
(3,5-dimethylcyclohexyl)-(2-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 (3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 104789698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).