N,3-dimethyl-1-phenylbut-2-en-1-amine

C12H17N — CID 79190066

IUPACN,3-dimethyl-1-phenylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(2)9-12(13-3)11-7-5-4-6-8-11/h4-9,12-13H,1-3H3
InChIKeyRYUPAFDCASUBQE-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.91
Rot. Bonds3

About N,3-dimethyl-1-phenylbut-2-en-1-amine

N,3-dimethyl-1-phenylbut-2-en-1-amine (PubChem CID 79190066) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N,3-dimethyl-1-phenylbut-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-phenylbut-2-en-1-amine
PubChem CID79190066
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN,3-dimethyl-1-phenylbut-2-en-1-amine
SMILESCNC(C=C(C)C)c1ccccc1
InChIInChI=1S/C12H17N/c1-10(2)9-12(13-3)11-7-5-4-6-8-11/h4-9,12-13H,1-3H3
InChIKeyRYUPAFDCASUBQE-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.91
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

N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine
CID 105163254
N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline
CID 105163326
4-methyl-2-phenylpent-3-enal
CID 19361032
1-methoxy-N,4-dimethyl-1-phenylpent-3-en-2-amine
CID 116772693
N,3-dimethyl-1-pyrimidin-2-ylbut-2-en-1-amine
CID 79190730
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbut-2-en-1-amine
CID 105004605
1-(5-chlorothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 131207429
5-methyl-3-phenylhex-4-en-2-one
CID 10559533
4-methyl-2-phenylpent-3-enoic acid
CID 10559580
1-(2-bromo-3-methylphenyl)-N,3-dimethylbut-2-en-1-amine
CID 107985160
cyclodecapentaenyl(methylamino)methanol
CID 129203731
1-(2,6-dimethyl-3-pyridinyl)-N,3-dimethylbut-2-en-1-amine
CID 105163290

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-phenylbut-2-en-1-amine?
The IUPAC name of N,3-dimethyl-1-phenylbut-2-en-1-amine (CID 79190066) is N,3-dimethyl-1-phenylbut-2-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-phenylbut-2-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-phenylbut-2-en-1-amine is CNC(C=C(C)C)c1ccccc1.
What is the InChIKey of N,3-dimethyl-1-phenylbut-2-en-1-amine?
The InChIKey is RYUPAFDCASUBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10(2)9-12(13-3)11-7-5-4-6-8-11/h4-9,12-13H,1-3H3.
What are the key properties of N,3-dimethyl-1-phenylbut-2-en-1-amine?
N,3-dimethyl-1-phenylbut-2-en-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-phenylbut-2-en-1-amine is sourced from PubChem (CID 79190066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).