N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine

C14H21NO — CID 103868550

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC/C=C/c2ccco2)CC1
InChIInChI=1S/C14H21NO/c1-12-6-8-13(9-7-12)15-10-2-4-14-5-3-11-16-14/h2-5,11-13,15H,6-10H2,1H3/b4-2+
InChIKeyWDPCGKVUNFTWDP-DUXPYHPUSA-N
MW219.33 g/mol
LogP3.46
Rot. Bonds4

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine

N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine (PubChem CID 103868550) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
PubChem CID103868550
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC/C=C/c2ccco2)CC1
InChIInChI=1S/C14H21NO/c1-12-6-8-13(9-7-12)15-10-2-4-14-5-3-11-16-14/h2-5,11-13,15H,6-10H2,1H3/b4-2+
InChIKeyWDPCGKVUNFTWDP-DUXPYHPUSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one
CID 115866059
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
CID 115865985
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 115865917
N-[3-(furan-3-yl)prop-2-enyl]cyclopropanamine
CID 79347716

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine (CID 103868550) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine is CC1CCC(NC/C=C/c2ccco2)CC1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine?
The InChIKey is WDPCGKVUNFTWDP-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-8-13(9-7-12)15-10-2-4-14-5-3-11-16-14/h2-5,11-13,15H,6-10H2,1H3/b4-2+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 103868550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).