N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine

C24H25N — CID 134321181

IUPACN-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine
SMILESC/C=C\C(=C/CC)c1ccc(N(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N/c1-4-9-19(10-5-2)20-15-17-22(18-16-20)25(3)24-14-8-12-21-11-6-7-13-23(21)24/h4,6-18H,5H2,1-3H3/b9-4-,19-10+
InChIKeyYPYPRYLTFZFYER-QFUOUWBRSA-N
MW327.47 g/mol
LogP6.98
Rot. Bonds5

About N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine

N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine (PubChem CID 134321181) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine
PubChem CID134321181
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC NameN-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine
SMILESC/C=C\C(=C/CC)c1ccc(N(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N/c1-4-9-19(10-5-2)20-15-17-22(18-16-20)25(3)24-14-8-12-21-11-6-7-13-23(21)24/h4,6-18H,5H2,1-3H3/b9-4-,19-10+
InChIKeyYPYPRYLTFZFYER-QFUOUWBRSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.98
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-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568
N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
CID 58583928
N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene
CID 143268905
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801
4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 123948232
N-[4-[4-[(E)-oct-3-en-4-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 129208590
4-N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-1-N-methyl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 143685187
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine?
The IUPAC name of N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine (CID 134321181) is N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine?
The canonical SMILES for N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine is C/C=C\C(=C/CC)c1ccc(N(C)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine?
The InChIKey is YPYPRYLTFZFYER-QFUOUWBRSA-N. The full InChI is InChI=1S/C24H25N/c1-4-9-19(10-5-2)20-15-17-22(18-16-20)25(3)24-14-8-12-21-11-6-7-13-23(21)24/h4,6-18H,5H2,1-3H3/b9-4-,19-10+.
What are the key properties of N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine?
N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine has a molecular weight of 327.47 g/mol, XLogP of 6.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-N-methylnaphthalen-1-amine is sourced from PubChem (CID 134321181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).