N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine

C14H17N — CID 115706886

IUPACN-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine
SMILESC#CCNC(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H17N/c1-2-10-15-14(13-8-9-13)11-12-6-4-3-5-7-12/h1,3-7,13-15H,8-11H2
InChIKeyCUPQPQNZCIMYIG-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.23
Rot. Bonds5

About N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine

N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine (PubChem CID 115706886) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine
PubChem CID115706886
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine
SMILESC#CCNC(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H17N/c1-2-10-15-14(13-8-9-13)11-12-6-4-3-5-7-12/h1,3-7,13-15H,8-11H2
InChIKeyCUPQPQNZCIMYIG-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
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

1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
CID 115706143
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
CID 103778498
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
N-[(1S)-1-cyclopropyl-2-phenylethyl]-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 97062042
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
3-[(1-cyclopropyl-2-phenylethyl)carbamoyl-methylamino]propanoic acid
CID 122002942
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
4-[[[(1S)-1-cyclopropyl-2-phenylethyl]amino]methyl]-3-fluorobenzonitrile
CID 97231657
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine (CID 115706886) is N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine is C#CCNC(Cc1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine?
The InChIKey is CUPQPQNZCIMYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-10-15-14(13-8-9-13)11-12-6-4-3-5-7-12/h1,3-7,13-15H,8-11H2.
What are the key properties of N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine?
N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine is sourced from PubChem (CID 115706886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).