2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine

C17H25N — CID 146622693

IUPAC2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine
SMILESC=C(C)CCc1ccc(C(=C)NCC(C)C)cc1
InChIInChI=1S/C17H25N/c1-13(2)6-7-16-8-10-17(11-9-16)15(5)18-12-14(3)4/h8-11,14,18H,1,5-7,12H2,2-4H3
InChIKeyKTBAPHBOEIIXQS-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.41
Rot. Bonds7

About 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine

2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine (PubChem CID 146622693) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine
PubChem CID146622693
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine
SMILESC=C(C)CCc1ccc(C(=C)NCC(C)C)cc1
InChIInChI=1S/C17H25N/c1-13(2)6-7-16-8-10-17(11-9-16)15(5)18-12-14(3)4/h8-11,14,18H,1,5-7,12H2,2-4H3
InChIKeyKTBAPHBOEIIXQS-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.41
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

2-methyl-N-[1-(4-prop-1-en-2-ylphenyl)ethenyl]propan-1-amine
CID 138667961
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
ethyl 4-(3-methylbut-3-enyl)benzoate
CID 24721809
4-(3-methylbut-3-enyl)aniline
CID 126710999
1-fluoro-4-(3-methylbut-3-enyl)benzene
CID 24721825
N-ethyl-1-(4-ethylphenyl)ethenamine
CID 89105478
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 10176333
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
CID 144516269
1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine (CID 146622693) is 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine is C=C(C)CCc1ccc(C(=C)NCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine?
The InChIKey is KTBAPHBOEIIXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13(2)6-7-16-8-10-17(11-9-16)15(5)18-12-14(3)4/h8-11,14,18H,1,5-7,12H2,2-4H3.
What are the key properties of 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine?
2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(3-methylbut-3-enyl)phenyl]ethenyl]propan-1-amine is sourced from PubChem (CID 146622693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).