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

C19H21N — CID 176922425

IUPACN-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine
SMILESCC=C=C(C)/C=C(/C)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C19H21N/c1-5-8-15(2)13-16(3)20(4)19-12-11-17-9-6-7-10-18(17)14-19/h5-7,9-14H,1-4H3/b16-13-
InChIKeyAFBUMTLENFRRDK-SSZFMOIBSA-N
MW263.38 g/mol
LogP5.30
Rot. Bonds3

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

N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine (PubChem CID 176922425) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine
PubChem CID176922425
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine
SMILESCC=C=C(C)/C=C(/C)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C19H21N/c1-5-8-15(2)13-16(3)20(4)19-12-11-17-9-6-7-10-18(17)14-19/h5-7,9-14H,1-4H3/b16-13-
InChIKeyAFBUMTLENFRRDK-SSZFMOIBSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-[3,4-bis(ethenyl)phenyl]-N-methylnaphthalen-2-amine
CID 143975290
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
N,5-dimethyl-N-naphthalen-2-ylthiophene-2-carboxamide
CID 51146862
N-[4-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-methylamino]phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 143685408
4-(methoxymethyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 51175212
(2E,4E)-5-[4-[4-(dinaphthalen-2-ylamino)phenyl]-N-methylanilino]-2-ethenylhexa-2,4-dienenitrile
CID 143685303
N-(3,4-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 163968622
N-(3,5-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 70891373
3-(methoxymethyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 51201003
1-cyano-N-methyl-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 115181540
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine?
The IUPAC name of N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine (CID 176922425) is N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine.
What is the SMILES notation for N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine?
The canonical SMILES for N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine is CC=C=C(C)/C=C(/C)N(C)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine?
The InChIKey is AFBUMTLENFRRDK-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H21N/c1-5-8-15(2)13-16(3)20(4)19-12-11-17-9-6-7-10-18(17)14-19/h5-7,9-14H,1-4H3/b16-13-.
What are the key properties of N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine?
N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine has a molecular weight of 263.38 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2Z)-4-methylhepta-2,4,5-trien-2-yl]naphthalen-2-amine is sourced from PubChem (CID 176922425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).