2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one

C18H27NO2 — CID 62612741

IUPAC2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(Cc2ccco2)C2CC2)C1
InChIInChI=1S/C18H27NO2/c1-2-4-14-6-9-18(20)15(11-14)12-19(16-7-8-16)13-17-5-3-10-21-17/h3,5,10,14-16H,2,4,6-9,11-13H2,1H3
InChIKeyUCSJJFNQPDJTAW-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.03
Rot. Bonds7

About 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 62612741) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID62612741
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(Cc2ccco2)C2CC2)C1
InChIInChI=1S/C18H27NO2/c1-2-4-14-6-9-18(20)15(11-14)12-19(16-7-8-16)13-17-5-3-10-21-17/h3,5,10,14-16H,2,4,6-9,11-13H2,1H3
InChIKeyUCSJJFNQPDJTAW-UHFFFAOYSA-N
XLogP4.03
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one with MolForge

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Related Compounds

2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62611413
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678
2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62612064
2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62608837
3-[ethyl(furan-2-ylmethyl)amino]cyclopentan-1-one
CID 79642573
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-one
CID 55094828
2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 63483178
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one (CID 62612741) is 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(Cc2ccco2)C2CC2)C1.
What is the InChIKey of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is UCSJJFNQPDJTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-4-14-6-9-18(20)15(11-14)12-19(16-7-8-16)13-17-5-3-10-21-17/h3,5,10,14-16H,2,4,6-9,11-13H2,1H3.
What are the key properties of 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 289.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62612741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).