N-(4-phenylbutan-2-yl)pent-4-yn-2-amine

C15H21N — CID 115664215

IUPACN-(4-phenylbutan-2-yl)pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)CCc1ccccc1
InChIInChI=1S/C15H21N/c1-4-8-13(2)16-14(3)11-12-15-9-6-5-7-10-15/h1,5-7,9-10,13-14,16H,8,11-12H2,2-3H3
InChIKeyNJCBULARYMKJPK-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.01
Rot. Bonds6

About N-(4-phenylbutan-2-yl)pent-4-yn-2-amine

N-(4-phenylbutan-2-yl)pent-4-yn-2-amine (PubChem CID 115664215) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)pent-4-yn-2-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)pent-4-yn-2-amine
PubChem CID115664215
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(4-phenylbutan-2-yl)pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)CCc1ccccc1
InChIInChI=1S/C15H21N/c1-4-8-13(2)16-14(3)11-12-15-9-6-5-7-10-15/h1,5-7,9-10,13-14,16H,8,11-12H2,2-3H3
InChIKeyNJCBULARYMKJPK-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.01
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-(1,3-diphenylpropan-2-yl)pent-4-yn-2-amine
CID 104716082
N-(1-chloro-2-phenylethyl)pent-4-yn-2-amine
CID 59481141
N-(1-fluoro-2-phenylethyl)pent-4-yn-2-amine
CID 59481139
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
CID 115639050
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
4-phenylbutan-2-ylhydrazine
CID 28622
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905
3-methyl-N-pent-4-yn-2-yl-1-phenylbutan-1-amine
CID 113250291
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)pent-4-yn-2-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)pent-4-yn-2-amine (CID 115664215) is N-(4-phenylbutan-2-yl)pent-4-yn-2-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)pent-4-yn-2-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)pent-4-yn-2-amine is C#CCC(C)NC(C)CCc1ccccc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)pent-4-yn-2-amine?
The InChIKey is NJCBULARYMKJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-8-13(2)16-14(3)11-12-15-9-6-5-7-10-15/h1,5-7,9-10,13-14,16H,8,11-12H2,2-3H3.
What are the key properties of N-(4-phenylbutan-2-yl)pent-4-yn-2-amine?
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)pent-4-yn-2-amine is sourced from PubChem (CID 115664215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).