N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine

C18H31NO — CID 81030599

IUPACN-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)C(c2ccoc2)C1
InChIInChI=1S/C18H31NO/c1-13(2)14-6-7-15(11-19-18(3,4)5)17(10-14)16-8-9-20-12-16/h8-9,12-15,17,19H,6-7,10-11H2,1-5H3
InChIKeyXKNKENKSQWJYGE-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.82
Rot. Bonds4

About N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81030599) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81030599
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)C(c2ccoc2)C1
InChIInChI=1S/C18H31NO/c1-13(2)14-6-7-15(11-19-18(3,4)5)17(10-14)16-8-9-20-12-16/h8-9,12-15,17,19H,6-7,10-11H2,1-5H3
InChIKeyXKNKENKSQWJYGE-UHFFFAOYSA-N
XLogP4.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine 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

N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023230
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
CID 81030983
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-2-amine
CID 63208003
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
N-[[2-(methoxymethyl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030307
2-methyl-N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81026173
N-[[(1R,2R)-2-(furan-3-yl)cyclopropyl]methyl]hydroxylamine
CID 10582965
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017765
N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022912

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81030599) is N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)C1CCC(CNC(C)(C)C)C(c2ccoc2)C1.
What is the InChIKey of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XKNKENKSQWJYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)14-6-7-15(11-19-18(3,4)5)17(10-14)16-8-9-20-12-16/h8-9,12-15,17,19H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81030599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).