N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine

C13H17N — CID 131137819

IUPACN-methyl-3-(2-propylphenyl)prop-2-yn-1-amine
SMILESCCCc1ccccc1C#CCNC
InChIInChI=1S/C13H17N/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h4-5,8-9,14H,3,7,11H2,1-2H3
InChIKeyBMBLZSMDSJHNLU-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.21
Rot. Bonds3

About N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine

N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine (PubChem CID 131137819) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-propylphenyl)prop-2-yn-1-amine
PubChem CID131137819
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-3-(2-propylphenyl)prop-2-yn-1-amine
SMILESCCCc1ccccc1C#CCNC
InChIInChI=1S/C13H17N/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h4-5,8-9,14H,3,7,11H2,1-2H3
InChIKeyBMBLZSMDSJHNLU-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.21
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

1-(3-chloroprop-1-ynyl)-2-propylbenzene
CID 130905787
N-[(2-pent-1-ynylphenyl)methyl]aniline
CID 101378600
4-(2-oct-1-ynylphenyl)but-1-yn-1-ol
CID 70446792
3-(4-chloronaphthalen-1-yl)-N-methylprop-2-yn-1-amine
CID 114498117
N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine
CID 11322492
3-(2-dodec-1-ynylphenyl)propanoic acid
CID 151187733
1-(3-iodoprop-1-ynyl)-2-(2-methoxyethyl)benzene
CID 121014119
N-ethyl-3-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine
CID 114497826
3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine
CID 114497836
ethane;(2-propylphenyl)methanethiol
CID 142320785
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
1-ethyl-2-(3-methoxyprop-1-ynyl)benzene
CID 91875161

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine (CID 131137819) is N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine is CCCc1ccccc1C#CCNC.
What is the InChIKey of N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine?
The InChIKey is BMBLZSMDSJHNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h4-5,8-9,14H,3,7,11H2,1-2H3.
What are the key properties of N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine?
N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propylphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 131137819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).