N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine

C14H21NO — CID 115865874

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
SMILESC(=C/c1ccco1)\CNC1CCCCCC1
InChIInChI=1S/C14H21NO/c1-2-4-8-13(7-3-1)15-11-5-9-14-10-6-12-16-14/h5-6,9-10,12-13,15H,1-4,7-8,11H2/b9-5+
InChIKeyAPSPOJYOIKCKDL-WEVVVXLNSA-N
MW219.33 g/mol
LogP3.61
Rot. Bonds4

About N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine

N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine (PubChem CID 115865874) 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]cycloheptanamine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
PubChem CID115865874
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
SMILESC(=C/c1ccco1)\CNC1CCCCCC1
InChIInChI=1S/C14H21NO/c1-2-4-8-13(7-3-1)15-11-5-9-14-10-6-12-16-14/h5-6,9-10,12-13,15H,1-4,7-8,11H2/b9-5+
InChIKeyAPSPOJYOIKCKDL-WEVVVXLNSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
CID 103868550
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
CID 115865985
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 115865917
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
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine
CID 4725017
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine (CID 115865874) is N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine is C(=C/c1ccco1)\CNC1CCCCCC1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine?
The InChIKey is APSPOJYOIKCKDL-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-4-8-13(7-3-1)15-11-5-9-14-10-6-12-16-14/h5-6,9-10,12-13,15H,1-4,7-8,11H2/b9-5+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine has a molecular weight of 219.33 g/mol, XLogP of 3.61, 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]cycloheptanamine is sourced from PubChem (CID 115865874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).