3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine

C15H23N — CID 103605764

IUPAC3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
SMILESCC(C)=CCNC(c1ccccc1)C(C)C
InChIInChI=1S/C15H23N/c1-12(2)10-11-16-15(13(3)4)14-8-6-5-7-9-14/h5-10,13,15-16H,11H2,1-4H3
InChIKeyRWNQCGSETKNASR-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.94
Rot. Bonds5

About 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine

3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine (PubChem CID 103605764) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
PubChem CID103605764
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
SMILESCC(C)=CCNC(c1ccccc1)C(C)C
InChIInChI=1S/C15H23N/c1-12(2)10-11-16-15(13(3)4)14-8-6-5-7-9-14/h5-10,13,15-16H,11H2,1-4H3
InChIKeyRWNQCGSETKNASR-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.94
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

(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine
CID 106179833
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine
CID 115745130
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine (CID 103605764) is 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine is CC(C)=CCNC(c1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine?
The InChIKey is RWNQCGSETKNASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)10-11-16-15(13(3)4)14-8-6-5-7-9-14/h5-10,13,15-16H,11H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine?
3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine is sourced from PubChem (CID 103605764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).