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

C16H25N — CID 102641068

IUPAC2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccccc1C
InChIInChI=1S/C16H25N/c1-6-16(5,12-17-13(2)3)11-15-10-8-7-9-14(15)4/h6-10,13,17H,1,11-12H2,2-5H3
InChIKeyCTVCTXJWCBDUDY-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.73
Rot. Bonds6

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

2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102641068) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
PubChem CID102641068
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccccc1C
InChIInChI=1S/C16H25N/c1-6-16(5,12-17-13(2)3)11-15-10-8-7-9-14(15)4/h6-10,13,17H,1,11-12H2,2-5H3
InChIKeyCTVCTXJWCBDUDY-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.73
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-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640962
N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine
CID 102640742
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methylbenzene
CID 102642000
2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83159965
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640971
2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641014
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640970
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine (CID 102641068) is 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CNC(C)C)Cc1ccccc1C.
What is the InChIKey of 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is CTVCTXJWCBDUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-6-16(5,12-17-13(2)3)11-15-10-8-7-9-14(15)4/h6-10,13,17H,1,11-12H2,2-5H3.
What are the key properties of 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine?
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102641068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).