N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine

C14H17N — CID 114415138

IUPACN-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
SMILESC#CC(C)NCc1ccccc1C1CC1
InChIInChI=1S/C14H17N/c1-3-11(2)15-10-13-6-4-5-7-14(13)12-8-9-12/h1,4-7,11-12,15H,8-10H2,2H3
InChIKeyRVZQLTVFPAMANU-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.68
Rot. Bonds4

About N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine

N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine (PubChem CID 114415138) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
PubChem CID114415138
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
SMILESC#CC(C)NCc1ccccc1C1CC1
InChIInChI=1S/C14H17N/c1-3-11(2)15-10-13-6-4-5-7-14(13)12-8-9-12/h1,4-7,11-12,15H,8-10H2,2H3
InChIKeyRVZQLTVFPAMANU-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.68
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-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 79884254
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217
(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 79984304
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899991
N-[(2-cyclopropylphenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 113257702

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine (CID 114415138) is N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine is C#CC(C)NCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine?
The InChIKey is RVZQLTVFPAMANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-11(2)15-10-13-6-4-5-7-14(13)12-8-9-12/h1,4-7,11-12,15H,8-10H2,2H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine?
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine has a molecular weight of 199.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine is sourced from PubChem (CID 114415138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).