(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine

C13H21NO — CID 104991972

IUPAC(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)C2CCCC(C)C2)o1
InChIInChI=1S/C13H21NO/c1-9-4-3-5-11(8-9)13(14)12-7-6-10(2)15-12/h6-7,9,11,13H,3-5,8,14H2,1-2H3
InChIKeyPSNODHHUOFDHSX-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.41
Rot. Bonds2

About (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine

(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine (PubChem CID 104991972) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
PubChem CID104991972
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)C2CCCC(C)C2)o1
InChIInChI=1S/C13H21NO/c1-9-4-3-5-11(8-9)13(14)12-7-6-10(2)15-12/h6-7,9,11,13H,3-5,8,14H2,1-2H3
InChIKeyPSNODHHUOFDHSX-UHFFFAOYSA-N
XLogP3.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methylcyclohexyl)-(5-methylfuran-2-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

(5-methylfuran-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126532
2,3-dihydro-1-benzofuran-7-yl-(3-methylcyclohexyl)methanamine
CID 114745190
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
CID 65105141
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 81305445
(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 63503968
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
CID 114729273
(1,5-dimethylpyrazol-4-yl)-(3-methylcyclohexyl)methanamine
CID 105155931
cyclohepten-1-yl-(3-methylcyclohexyl)methanamine
CID 106652734

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
The IUPAC name of (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine (CID 104991972) is (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine is Cc1ccc(C(N)C2CCCC(C)C2)o1.
What is the InChIKey of (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
The InChIKey is PSNODHHUOFDHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-4-3-5-11(8-9)13(14)12-7-6-10(2)15-12/h6-7,9,11,13H,3-5,8,14H2,1-2H3.
What are the key properties of (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine?
(3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 104991972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).