N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine

C20H27N — CID 129014958

IUPACN-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine
SMILESC=C(NCCC1=CCCC=C1)C1C=CC(C)=C(/C=C\C)C1
InChIInChI=1S/C20H27N/c1-4-8-19-15-20(12-11-16(19)2)17(3)21-14-13-18-9-6-5-7-10-18/h4,6,8-12,20-21H,3,5,7,13-15H2,1-2H3/b8-4-
InChIKeySTYPVJKSMJXDCK-YWEYNIOJSA-N
MW281.44 g/mol
LogP5.22
Rot. Bonds6

About N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine

N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine (PubChem CID 129014958) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine
PubChem CID129014958
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine
SMILESC=C(NCCC1=CCCC=C1)C1C=CC(C)=C(/C=C\C)C1
InChIInChI=1S/C20H27N/c1-4-8-19-15-20(12-11-16(19)2)17(3)21-14-13-18-9-6-5-7-10-18/h4,6,8-12,20-21H,3,5,7,13-15H2,1-2H3/b8-4-
InChIKeySTYPVJKSMJXDCK-YWEYNIOJSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine with MolForge

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Launch Full Analysis

Related Compounds

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CID 129823195
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CID 130242712
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
CID 156821650
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine
CID 166651598
N-[1-[3-(2,2-difluoroethyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-methylhexan-3-amine
CID 166669730
N-[1-[5-(2,2-difluoroethyl)cyclohexa-2,4-dien-1-yl]ethenyl]-2-methylhex-1-en-3-amine
CID 166734820
N-[(E)-3-[4-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]-2-methylprop-1-enyl]-3-methylhept-1-en-2-amine
CID 169620930
(3Z)-2-N-methyl-5-N-[3-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]hexa-1,3,5-triene-2,5-diamine
CID 170212781
(1S)-3-fluoro-1-methyl-N-[1-[(4R)-4-(methylamino)cyclohex-2-en-1-yl]ethenyl]cyclohexa-2,4-dien-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine (CID 129014958) is N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine is C=C(NCCC1=CCCC=C1)C1C=CC(C)=C(/C=C\C)C1.
What is the InChIKey of N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine?
The InChIKey is STYPVJKSMJXDCK-YWEYNIOJSA-N. The full InChI is InChI=1S/C20H27N/c1-4-8-19-15-20(12-11-16(19)2)17(3)21-14-13-18-9-6-5-7-10-18/h4,6,8-12,20-21H,3,5,7,13-15H2,1-2H3/b8-4-.
What are the key properties of N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine?
N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine has a molecular weight of 281.44 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,5-dien-1-ylethyl)-1-[4-methyl-5-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-yl]ethenamine is sourced from PubChem (CID 129014958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).