N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine

C13H21NO — CID 115865915

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNC/C=C/c1ccco1
InChIInChI=1S/C13H21NO/c1-13(2,3)8-10-14-9-4-6-12-7-5-11-15-12/h4-7,11,14H,8-10H2,1-3H3/b6-4+
InChIKeyICQXIVPLVCTTHQ-GQCTYLIASA-N
MW207.32 g/mol
LogP3.32
Rot. Bonds5

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

N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine (PubChem CID 115865915) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
PubChem CID115865915
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNC/C=C/c1ccco1
InChIInChI=1S/C13H21NO/c1-13(2,3)8-10-14-9-4-6-12-7-5-11-15-12/h4-7,11,14H,8-10H2,1-3H3/b6-4+
InChIKeyICQXIVPLVCTTHQ-GQCTYLIASA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
CID 115865879
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
CID 115865995
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
CID 115865959
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
(E)-3-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 115865917
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979
N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
CID 164636483

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine (CID 115865915) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNC/C=C/c1ccco1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine?
The InChIKey is ICQXIVPLVCTTHQ-GQCTYLIASA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)8-10-14-9-4-6-12-7-5-11-15-12/h4-7,11,14H,8-10H2,1-3H3/b6-4+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.32, 5 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]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115865915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).