N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine

C16H17N — CID 145138026

IUPACN-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine
SMILESC/C=C\C=C(/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H17N/c1-3-4-7-13(2)17-16-11-10-14-8-5-6-9-15(14)12-16/h3-12,17H,1-2H3/b4-3-,13-7+
InChIKeyIHGYVLIOYISIOK-XYJZBGMCSA-N
MW223.32 g/mol
LogP4.73
Rot. Bonds3

About N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine

N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine (PubChem CID 145138026) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine
PubChem CID145138026
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine
SMILESC/C=C\C=C(/C)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H17N/c1-3-4-7-13(2)17-16-11-10-14-8-5-6-9-15(14)12-16/h3-12,17H,1-2H3/b4-3-,13-7+
InChIKeyIHGYVLIOYISIOK-XYJZBGMCSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.73
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

(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine
CID 145144847
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
CID 145073167
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
N-hexa-2,4-dienylnaphthalen-2-amine
CID 123968148
1-methyl-3-naphthalen-2-ylurea
CID 3454681
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid
CID 740391
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine?
The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine (CID 145138026) is N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine.
What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine?
The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine is C/C=C\C=C(/C)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine?
The InChIKey is IHGYVLIOYISIOK-XYJZBGMCSA-N. The full InChI is InChI=1S/C16H17N/c1-3-4-7-13(2)17-16-11-10-14-8-5-6-9-15(14)12-16/h3-12,17H,1-2H3/b4-3-,13-7+.
What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine?
N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine has a molecular weight of 223.32 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine is sourced from PubChem (CID 145138026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).