N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine

C18H19N — CID 137398702

IUPACN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine
SMILESC/C=C\C=C(/C=C\C)Nc1cccc2ccccc12
InChIInChI=1S/C18H19N/c1-3-5-12-16(9-4-2)19-18-14-8-11-15-10-6-7-13-17(15)18/h3-14,19H,1-2H3/b5-3-,9-4-,16-12+
InChIKeyNWAAGGXVUPBAGQ-WVZINWSFSA-N
MW249.36 g/mol
LogP5.29
Rot. Bonds4

About N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine

N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine (PubChem CID 137398702) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine
PubChem CID137398702
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine
SMILESC/C=C\C=C(/C=C\C)Nc1cccc2ccccc12
InChIInChI=1S/C18H19N/c1-3-5-12-16(9-4-2)19-18-14-8-11-15-10-6-7-13-17(15)18/h3-14,19H,1-2H3/b5-3-,9-4-,16-12+
InChIKeyNWAAGGXVUPBAGQ-WVZINWSFSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3E,5Z)-4-phenylhepta-1,3,5-trienyl]naphthalen-1-amine
CID 129146030
(1E,3Z)-1-[2-[1-(naphthalen-1-ylamino)ethenyl]phenyl]penta-1,3-diene-1,2-diamine
CID 145334870
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
naphthalen-1-ylurea;hydrochloride
CID 141142203
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen
CID 143604612
N-naphthalen-1-yldodecanamide
CID 588517
azane;N-naphthalen-1-ylhydroxylamine
CID 146318651
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine?
The IUPAC name of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine (CID 137398702) is N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine.
What is the SMILES notation for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine?
The canonical SMILES for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine is C/C=C\C=C(/C=C\C)Nc1cccc2ccccc12.
What is the InChIKey of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine?
The InChIKey is NWAAGGXVUPBAGQ-WVZINWSFSA-N. The full InChI is InChI=1S/C18H19N/c1-3-5-12-16(9-4-2)19-18-14-8-11-15-10-6-7-13-17(15)18/h3-14,19H,1-2H3/b5-3-,9-4-,16-12+.
What are the key properties of N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine?
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine has a molecular weight of 249.36 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine is sourced from PubChem (CID 137398702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).