N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine

C20H23N — CID 145144847

IUPACN-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine
SMILESC=C(C)/C(=C\C=C(/C)Nc1ccc2ccccc2c1)CC
InChIInChI=1S/C20H23N/c1-5-17(15(2)3)11-10-16(4)21-20-13-12-18-8-6-7-9-19(18)14-20/h6-14,21H,2,5H2,1,3-4H3/b16-10+,17-11-
InChIKeyVOOXPNQQFLFZFU-VUTUTYQISA-N
MW277.41 g/mol
LogP6.07
Rot. Bonds5

About N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine

N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine (PubChem CID 145144847) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine
PubChem CID145144847
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine
SMILESC=C(C)/C(=C\C=C(/C)Nc1ccc2ccccc2c1)CC
InChIInChI=1S/C20H23N/c1-5-17(15(2)3)11-10-16(4)21-20-13-12-18-8-6-7-9-19(18)14-20/h6-14,21H,2,5H2,1,3-4H3/b16-10+,17-11-
InChIKeyVOOXPNQQFLFZFU-VUTUTYQISA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 56.07
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
(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
CID 145073167
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
1-methyl-3-naphthalen-2-ylurea
CID 3454681
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine?
The IUPAC name of N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine (CID 145144847) is N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine.
What is the SMILES notation for N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine?
The canonical SMILES for N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine is C=C(C)/C(=C\C=C(/C)Nc1ccc2ccccc2c1)CC.
What is the InChIKey of N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine?
The InChIKey is VOOXPNQQFLFZFU-VUTUTYQISA-N. The full InChI is InChI=1S/C20H23N/c1-5-17(15(2)3)11-10-16(4)21-20-13-12-18-8-6-7-9-19(18)14-20/h6-14,21H,2,5H2,1,3-4H3/b16-10+,17-11-.
What are the key properties of N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine?
N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine has a molecular weight of 277.41 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-2-yl]naphthalen-2-amine is sourced from PubChem (CID 145144847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).