N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine

C16H23N — CID 102481458

IUPACN-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(C)(CC=C)CNCc1ccccc1
InChIInChI=1S/C16H23N/c1-4-11-16(3,12-5-2)14-17-13-15-9-7-6-8-10-15/h4-10,17H,1-2,11-14H2,3H3
InChIKeyQOFDJFHWJHUZRR-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.93
Rot. Bonds8

About N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine

N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine (PubChem CID 102481458) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
PubChem CID102481458
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(C)(CC=C)CNCc1ccccc1
InChIInChI=1S/C16H23N/c1-4-11-16(3,12-5-2)14-17-13-15-9-7-6-8-10-15/h4-10,17H,1-2,11-14H2,3H3
InChIKeyQOFDJFHWJHUZRR-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylamino)-2-methylbut-3-en-2-ol
CID 11263990
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
(2S)-N-benzyl-2-(furan-2-yl)pent-4-en-2-amine
CID 831896
N-benzyl-2-methylpent-4-en-1-amine
CID 10487895
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
N-benzyl-3-deuterioprop-2-en-1-amine
CID 16686204
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine?
The IUPAC name of N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine (CID 102481458) is N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine is C=CCC(C)(CC=C)CNCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine?
The InChIKey is QOFDJFHWJHUZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-11-16(3,12-5-2)14-17-13-15-9-7-6-8-10-15/h4-10,17H,1-2,11-14H2,3H3.
What are the key properties of N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine?
N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-2-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 102481458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).