N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine

C13H17N — CID 114497839

IUPACN-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine
SMILESCNCC#Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H17N/c1-11(2)13-8-6-12(7-9-13)5-4-10-14-3/h6-9,11,14H,10H2,1-3H3
InChIKeyIOESIQYXVAZIHQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.38
Rot. Bonds2

About N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine

N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine (PubChem CID 114497839) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine
PubChem CID114497839
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine
SMILESCNCC#Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H17N/c1-11(2)13-8-6-12(7-9-13)5-4-10-14-3/h6-9,11,14H,10H2,1-3H3
InChIKeyIOESIQYXVAZIHQ-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.38
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

2,3-dimethylbutane;ethane;1-propan-2-yl-4-prop-1-ynylbenzene
CID 144704481
1-non-1-ynyl-4-propan-2-ylbenzene
CID 146003569
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685
trimethyl-[2-(4-propan-2-ylphenyl)ethynyl]silane
CID 23390603
3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60799873
N-[1-(4-chlorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340706
2-[3-[3-(4-propan-2-ylphenyl)prop-2-ynoxy]propoxy]acetyl fluoride
CID 156729249
1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene
CID 130055881
1-(2-cyclohexa-1,5-dien-1-ylethynyl)-4-propan-2-ylbenzene
CID 142112192
1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene
CID 154539866
N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 22692516
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine (CID 114497839) is N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine is CNCC#Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine?
The InChIKey is IOESIQYXVAZIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11(2)13-8-6-12(7-9-13)5-4-10-14-3/h6-9,11,14H,10H2,1-3H3.
What are the key properties of N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine?
N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propan-2-ylphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 114497839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).