N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine

C15H23NO — CID 81031757

IUPACN-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(c2ccoc2)C1
InChIInChI=1S/C15H23NO/c1-11-2-3-12(9-16-14-4-5-14)15(8-11)13-6-7-17-10-13/h6-7,10-12,14-16H,2-5,8-9H2,1H3
InChIKeyGGXRWJDTGUQPQJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.55
Rot. Bonds4

About N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81031757) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81031757
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(c2ccoc2)C1
InChIInChI=1S/C15H23NO/c1-11-2-3-12(9-16-14-4-5-14)15(8-11)13-6-7-17-10-13/h6-7,10-12,14-16H,2-5,8-9H2,1H3
InChIKeyGGXRWJDTGUQPQJ-UHFFFAOYSA-N
XLogP3.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(furan-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81024920
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81034431
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
CID 81030983
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029610
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
CID 63208002
N-[[(1R,2R)-2-(furan-3-yl)cyclopropyl]methyl]hydroxylamine
CID 10582965
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-2-amine
CID 63208003
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647
N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030599
N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023230

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81031757) is N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)C(c2ccoc2)C1.
What is the InChIKey of N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is GGXRWJDTGUQPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-2-3-12(9-16-14-4-5-14)15(8-11)13-6-7-17-10-13/h6-7,10-12,14-16H,2-5,8-9H2,1H3.
What are the key properties of N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 233.35 g/mol, XLogP of 3.55, 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-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81031757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).