N-hexa-2,4-dienylnaphthalen-2-amine

C16H17N — CID 123968148

IUPACN-hexa-2,4-dienylnaphthalen-2-amine
SMILESCC=CC=CCNc1ccc2ccccc2c1
InChIInChI=1S/C16H17N/c1-2-3-4-7-12-17-16-11-10-14-8-5-6-9-15(14)13-16/h2-11,13,17H,12H2,1H3
InChIKeyCDHXSZPCZCWACE-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.38
Rot. Bonds4

About N-hexa-2,4-dienylnaphthalen-2-amine

N-hexa-2,4-dienylnaphthalen-2-amine (PubChem CID 123968148) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is N-hexa-2,4-dienylnaphthalen-2-amine.

Molecular Properties

Compound NameN-hexa-2,4-dienylnaphthalen-2-amine
PubChem CID123968148
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC NameN-hexa-2,4-dienylnaphthalen-2-amine
SMILESCC=CC=CCNc1ccc2ccccc2c1
InChIInChI=1S/C16H17N/c1-2-3-4-7-12-17-16-11-10-14-8-5-6-9-15(14)13-16/h2-11,13,17H,12H2,1H3
InChIKeyCDHXSZPCZCWACE-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.38
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

(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol
CID 166448656
N-[(2E,4Z)-hexa-2,4-dien-2-yl]naphthalen-2-amine
CID 145138026
2-(naphthalen-2-ylamino)acetonitrile
CID 43420244
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
N-(2,2,3-trimethylbutyl)naphthalen-2-amine
CID 114100780
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306
N-tert-butylnaphthalen-2-amine
CID 13200783
N-hexadecylnaphthalen-2-amine
CID 12796089
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
CID 79168498
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
N-(2,6-dimethylheptan-4-yl)naphthalen-2-amine
CID 43680210

Frequently Asked Questions

What is the IUPAC name of N-hexa-2,4-dienylnaphthalen-2-amine?
The IUPAC name of N-hexa-2,4-dienylnaphthalen-2-amine (CID 123968148) is N-hexa-2,4-dienylnaphthalen-2-amine.
What is the SMILES notation for N-hexa-2,4-dienylnaphthalen-2-amine?
The canonical SMILES for N-hexa-2,4-dienylnaphthalen-2-amine is CC=CC=CCNc1ccc2ccccc2c1.
What is the InChIKey of N-hexa-2,4-dienylnaphthalen-2-amine?
The InChIKey is CDHXSZPCZCWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-3-4-7-12-17-16-11-10-14-8-5-6-9-15(14)13-16/h2-11,13,17H,12H2,1H3.
What are the key properties of N-hexa-2,4-dienylnaphthalen-2-amine?
N-hexa-2,4-dienylnaphthalen-2-amine has a molecular weight of 223.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-2,4-dienylnaphthalen-2-amine is sourced from PubChem (CID 123968148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).