3-methyl-1-phenylpent-1-yn-3-amine

C12H15N — CID 127003696

IUPAC3-methyl-1-phenylpent-1-yn-3-amine
SMILESCCC(C)(N)C#Cc1ccccc1
InChIInChI=1S/C12H15N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8H,3,13H2,1-2H3
InChIKeyHYSYSWQQGFCSFJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.17
Rot. Bonds1

About 3-methyl-1-phenylpent-1-yn-3-amine

3-methyl-1-phenylpent-1-yn-3-amine (PubChem CID 127003696) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methyl-1-phenylpent-1-yn-3-amine.

Molecular Properties

Compound Name3-methyl-1-phenylpent-1-yn-3-amine
PubChem CID127003696
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-methyl-1-phenylpent-1-yn-3-amine
SMILESCCC(C)(N)C#Cc1ccccc1
InChIInChI=1S/C12H15N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8H,3,13H2,1-2H3
InChIKeyHYSYSWQQGFCSFJ-UHFFFAOYSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
N,N,3-triethyl-1-phenylpent-1-yn-3-amine
CID 11322491
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
3-ethyl-4-methyl-1-phenylpent-1-yn-3-ol
CID 13399450
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
CID 91281470
(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
3,3-dimethoxybut-1-ynylbenzene
CID 14492597
N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline
CID 163297447
(3S)-3-ethyl-1-phenylhept-1-yn-3-ol
CID 7010443
1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine
CID 130815621
(3-benzyl-3-methylpenta-1,4-diynyl)benzene
CID 173077955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpent-1-yn-3-amine?
The IUPAC name of 3-methyl-1-phenylpent-1-yn-3-amine (CID 127003696) is 3-methyl-1-phenylpent-1-yn-3-amine.
What is the SMILES notation for 3-methyl-1-phenylpent-1-yn-3-amine?
The canonical SMILES for 3-methyl-1-phenylpent-1-yn-3-amine is CCC(C)(N)C#Cc1ccccc1.
What is the InChIKey of 3-methyl-1-phenylpent-1-yn-3-amine?
The InChIKey is HYSYSWQQGFCSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8H,3,13H2,1-2H3.
What are the key properties of 3-methyl-1-phenylpent-1-yn-3-amine?
3-methyl-1-phenylpent-1-yn-3-amine has a molecular weight of 173.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpent-1-yn-3-amine is sourced from PubChem (CID 127003696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).