N-[(E)-1,2-diphenylethenyl]butan-1-amine

C18H21N — CID 143156717

IUPACN-[(E)-1,2-diphenylethenyl]butan-1-amine
SMILESCCCCN/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-14-19-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,15,19H,2-3,14H2,1H3/b18-15+
InChIKeyTXRXMOSOSAPYAY-OBGWFSINSA-N
MW251.37 g/mol
LogP4.57
Rot. Bonds6

About N-[(E)-1,2-diphenylethenyl]butan-1-amine

N-[(E)-1,2-diphenylethenyl]butan-1-amine (PubChem CID 143156717) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(E)-1,2-diphenylethenyl]butan-1-amine.

Molecular Properties

Compound NameN-[(E)-1,2-diphenylethenyl]butan-1-amine
PubChem CID143156717
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(E)-1,2-diphenylethenyl]butan-1-amine
SMILESCCCCN/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-14-19-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,15,19H,2-3,14H2,1H3/b18-15+
InChIKeyTXRXMOSOSAPYAY-OBGWFSINSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
N-[(E)-2-cyclohexa-1,3-dien-1-yl-1-phenylethenyl]butan-1-amine
CID 143156718
(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
CID 177403210
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine
CID 177442927
N-butyl-2-oxo-2-phenylacetamide;2-oxoacetamide
CID 88801983
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
3-oxo-3-(pentylamino)-1-phenylprop-1-ene-2-sulfonic acid
CID 174538982
2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102
N-[(Z)-1-(4-bromophenyl)-3-(butylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2177079
4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2175993

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,2-diphenylethenyl]butan-1-amine?
The IUPAC name of N-[(E)-1,2-diphenylethenyl]butan-1-amine (CID 143156717) is N-[(E)-1,2-diphenylethenyl]butan-1-amine.
What is the SMILES notation for N-[(E)-1,2-diphenylethenyl]butan-1-amine?
The canonical SMILES for N-[(E)-1,2-diphenylethenyl]butan-1-amine is CCCCN/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1,2-diphenylethenyl]butan-1-amine?
The InChIKey is TXRXMOSOSAPYAY-OBGWFSINSA-N. The full InChI is InChI=1S/C18H21N/c1-2-3-14-19-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16/h4-13,15,19H,2-3,14H2,1H3/b18-15+.
What are the key properties of N-[(E)-1,2-diphenylethenyl]butan-1-amine?
N-[(E)-1,2-diphenylethenyl]butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-diphenylethenyl]butan-1-amine is sourced from PubChem (CID 143156717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).