N-[(3-methylphenyl)methyl]pent-1-en-2-amine

C13H19N — CID 166967486

IUPACN-[(3-methylphenyl)methyl]pent-1-en-2-amine
SMILESC=C(CCC)NCc1cccc(C)c1
InChIInChI=1S/C13H19N/c1-4-6-12(3)14-10-13-8-5-7-11(2)9-13/h5,7-9,14H,3-4,6,10H2,1-2H3
InChIKeyKCKASELKLBMMMM-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.40
Rot. Bonds5

About N-[(3-methylphenyl)methyl]pent-1-en-2-amine

N-[(3-methylphenyl)methyl]pent-1-en-2-amine (PubChem CID 166967486) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]pent-1-en-2-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]pent-1-en-2-amine
PubChem CID166967486
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(3-methylphenyl)methyl]pent-1-en-2-amine
SMILESC=C(CCC)NCc1cccc(C)c1
InChIInChI=1S/C13H19N/c1-4-6-12(3)14-10-13-8-5-7-11(2)9-13/h5,7-9,14H,3-4,6,10H2,1-2H3
InChIKeyKCKASELKLBMMMM-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
3-chloro-N-[(3-methylphenyl)methyl]propanamide
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2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
1-methyl-3-(6-methylidenenonyl)benzene
CID 143689147
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
(3-methylphenyl)methylurea
CID 60776531
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-methyl-1-[(3-methylphenyl)methyl]-3-propylguanidine
CID 111226214
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 112992190
2-methyl-1-[(3-methylphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111226213

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]pent-1-en-2-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]pent-1-en-2-amine (CID 166967486) is N-[(3-methylphenyl)methyl]pent-1-en-2-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]pent-1-en-2-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]pent-1-en-2-amine is C=C(CCC)NCc1cccc(C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]pent-1-en-2-amine?
The InChIKey is KCKASELKLBMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-6-12(3)14-10-13-8-5-7-11(2)9-13/h5,7-9,14H,3-4,6,10H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)methyl]pent-1-en-2-amine?
N-[(3-methylphenyl)methyl]pent-1-en-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]pent-1-en-2-amine is sourced from PubChem (CID 166967486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).