N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine

C17H17N — CID 145073167

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
SMILESC=C/C=C\C(=C/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H17N/c1-3-5-10-16(4-2)18-17-12-11-14-8-6-7-9-15(14)13-17/h3-13,18H,1H2,2H3/b10-5-,16-4+
InChIKeyORQXRIYGPOLHSN-KNIFNIMWSA-N
MW235.33 g/mol
LogP4.90
Rot. Bonds4

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine (PubChem CID 145073167) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
PubChem CID145073167
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
SMILESC=C/C=C\C(=C/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H17N/c1-3-5-10-16(4-2)18-17-12-11-14-8-6-7-9-15(14)13-17/h3-13,18H,1H2,2H3/b10-5-,16-4+
InChIKeyORQXRIYGPOLHSN-KNIFNIMWSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.90
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-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine
CID 145138026
N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine
CID 145442455
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
1-methyl-3-naphthalen-2-ylurea
CID 3454681
4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid
CID 740391
(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
(2E,4Z)-N-[(Z,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]hepta-2,4,6-trien-3-amine
CID 146638964
1-naphthalen-2-ylethanamine;(3Z)-penta-1,3-diene
CID 153400153
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine
CID 145144847

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine (CID 145073167) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine is C=C/C=C\C(=C/C)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine?
The InChIKey is ORQXRIYGPOLHSN-KNIFNIMWSA-N. The full InChI is InChI=1S/C17H17N/c1-3-5-10-16(4-2)18-17-12-11-14-8-6-7-9-15(14)13-17/h3-13,18H,1H2,2H3/b10-5-,16-4+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine has a molecular weight of 235.33 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine is sourced from PubChem (CID 145073167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).