1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine

C18H29NO — CID 63476465

IUPAC1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine
SMILESCCC(NCc1ccc(C2CC2C)o1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-17(14-7-5-4-6-8-14)19-12-15-9-10-18(20-15)16-11-13(16)2/h9-10,13-14,16-17,19H,3-8,11-12H2,1-2H3
InChIKeyCXPNDYPTWAMZRV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.85
Rot. Bonds6

About 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine

1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 63476465) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine
PubChem CID63476465
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine
SMILESCCC(NCc1ccc(C2CC2C)o1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-17(14-7-5-4-6-8-14)19-12-15-9-10-18(20-15)16-11-13(16)2/h9-10,13-14,16-17,19H,3-8,11-12H2,1-2H3
InChIKeyCXPNDYPTWAMZRV-UHFFFAOYSA-N
XLogP4.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
CID 43739403
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]cyclohexan-1-ol
CID 62365432
1-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-amine
CID 60691616
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
CID 115640014

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine (CID 63476465) is 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine is CCC(NCc1ccc(C2CC2C)o1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is CXPNDYPTWAMZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-17(14-7-5-4-6-8-14)19-12-15-9-10-18(20-15)16-11-13(16)2/h9-10,13-14,16-17,19H,3-8,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine?
1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63476465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).