N-methyl-1-phenylhex-4-yn-2-amine

C13H17N — CID 62310382

IUPACN-methyl-1-phenylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccccc1)NC
InChIInChI=1S/C13H17N/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-2H3
InChIKeyKGPOLOMOBKQTNE-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.23
Rot. Bonds4

About N-methyl-1-phenylhex-4-yn-2-amine

N-methyl-1-phenylhex-4-yn-2-amine (PubChem CID 62310382) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-1-phenylhex-4-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenylhex-4-yn-2-amine
PubChem CID62310382
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-1-phenylhex-4-yn-2-amine
SMILESCC#CCC(Cc1ccccc1)NC
InChIInChI=1S/C13H17N/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-2H3
InChIKeyKGPOLOMOBKQTNE-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.23
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

N-methyl-1-pyridin-4-ylhex-4-yn-2-amine
CID 62551577
1-(3-bromophenyl)-N-methylhex-4-yn-2-amine
CID 62310795
1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
CID 62309396
(3S)-3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248079
3-(methylamino)-4-phenylbutanenitrile;hydrochloride
CID 67248080
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-phenylmethoxyhex-4-yn-2-ylhydrazine
CID 131186397
N-methyl-1-(4-methylphenyl)hept-5-yn-3-amine
CID 105111911
ethane;3-(methylamino)-4-phenylbutanal
CID 91231416
acetaldehyde;N-methyl-1-phenylbutan-2-amine
CID 156726962

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylhex-4-yn-2-amine?
The IUPAC name of N-methyl-1-phenylhex-4-yn-2-amine (CID 62310382) is N-methyl-1-phenylhex-4-yn-2-amine.
What is the SMILES notation for N-methyl-1-phenylhex-4-yn-2-amine?
The canonical SMILES for N-methyl-1-phenylhex-4-yn-2-amine is CC#CCC(Cc1ccccc1)NC.
What is the InChIKey of N-methyl-1-phenylhex-4-yn-2-amine?
The InChIKey is KGPOLOMOBKQTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-4-10-13(14-2)11-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-phenylhex-4-yn-2-amine?
N-methyl-1-phenylhex-4-yn-2-amine has a molecular weight of 187.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylhex-4-yn-2-amine is sourced from PubChem (CID 62310382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).