1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene

C17H25N — CID 142910049

IUPAC1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene
SMILESC=C(N)c1ccc(C/C(C)=C/CC)cc1.C=CC
InChIInChI=1S/C14H19N.C3H6/c1-4-5-11(2)10-13-6-8-14(9-7-13)12(3)15;1-3-2/h5-9H,3-4,10,15H2,1-2H3;3H,1H2,2H3/b11-5+;
InChIKeyKGFOJZPUMDLQNH-HMXKFKBXSA-N
MW243.39 g/mol
LogP4.71
Rot. Bonds4

About 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene

1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene (PubChem CID 142910049) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene.

Molecular Properties

Compound Name1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene
PubChem CID142910049
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene
SMILESC=C(N)c1ccc(C/C(C)=C/CC)cc1.C=CC
InChIInChI=1S/C14H19N.C3H6/c1-4-5-11(2)10-13-6-8-14(9-7-13)12(3)15;1-3-2/h5-9H,3-4,10,15H2,1-2H3;3H,1H2,2H3/b11-5+;
InChIKeyKGFOJZPUMDLQNH-HMXKFKBXSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.71
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

4-Methylbenzylamine
CID 66035
4-Pentylaniline
CID 93162
4-Hexylaniline
CID 36382
1-(4-Methylphenyl)ethylamine
CID 577386
4-Ethylbenzenecarbothioamide
CID 2525970
4-Octylaniline
CID 85346
4-Decylaniline
CID 92309
4-Dodecylaniline
CID 7701
3-Phenylpentan-3-amine hydrochloride
CID 45036910
4-Isopropylbenzylamine
CID 138221
1-(4-Isopropylphenyl)ethanamine
CID 3728039
Cumylamine
CID 68509

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene?
The IUPAC name of 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene (CID 142910049) is 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene.
What is the SMILES notation for 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene?
The canonical SMILES for 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene is C=C(N)c1ccc(C/C(C)=C/CC)cc1.C=CC.
What is the InChIKey of 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene?
The InChIKey is KGFOJZPUMDLQNH-HMXKFKBXSA-N. The full InChI is InChI=1S/C14H19N.C3H6/c1-4-5-11(2)10-13-6-8-14(9-7-13)12(3)15;1-3-2/h5-9H,3-4,10,15H2,1-2H3;3H,1H2,2H3/b11-5+;.
What are the key properties of 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene?
1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene has a molecular weight of 243.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene is sourced from PubChem (CID 142910049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).