N-benzylhepta-5,6-dien-1-amine

C14H19N — CID 13181240

IUPACN-benzylhepta-5,6-dien-1-amine
SMILESC=C=CCCCCNCc1ccccc1
InChIInChI=1S/C14H19N/c1-2-3-4-5-9-12-15-13-14-10-7-6-8-11-14/h3,6-8,10-11,15H,1,4-5,9,12-13H2
InChIKeyYPRPBHZIKQVDRU-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.29
Rot. Bonds7

About N-benzylhepta-5,6-dien-1-amine

N-benzylhepta-5,6-dien-1-amine (PubChem CID 13181240) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-benzylhepta-5,6-dien-1-amine.

Molecular Properties

Compound NameN-benzylhepta-5,6-dien-1-amine
PubChem CID13181240
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-benzylhepta-5,6-dien-1-amine
SMILESC=C=CCCCCNCc1ccccc1
InChIInChI=1S/C14H19N/c1-2-3-4-5-9-12-15-13-14-10-7-6-8-11-14/h3,6-8,10-11,15H,1,4-5,9,12-13H2
InChIKeyYPRPBHZIKQVDRU-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 72715173
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N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-5-silylpentan-1-amine
CID 123625500
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
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CID 173249552
N-benzylbutan-1-amine;ethane;ethene
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Frequently Asked Questions

What is the IUPAC name of N-benzylhepta-5,6-dien-1-amine?
The IUPAC name of N-benzylhepta-5,6-dien-1-amine (CID 13181240) is N-benzylhepta-5,6-dien-1-amine.
What is the SMILES notation for N-benzylhepta-5,6-dien-1-amine?
The canonical SMILES for N-benzylhepta-5,6-dien-1-amine is C=C=CCCCCNCc1ccccc1.
What is the InChIKey of N-benzylhepta-5,6-dien-1-amine?
The InChIKey is YPRPBHZIKQVDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-4-5-9-12-15-13-14-10-7-6-8-11-14/h3,6-8,10-11,15H,1,4-5,9,12-13H2.
What are the key properties of N-benzylhepta-5,6-dien-1-amine?
N-benzylhepta-5,6-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylhepta-5,6-dien-1-amine is sourced from PubChem (CID 13181240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).