N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine

C16H23N — CID 115906615

IUPACN-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
SMILESCC#CCNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H23N/c1-5-6-12-17-14(2)13-16(3,4)15-10-8-7-9-11-15/h7-11,14,17H,12-13H2,1-4H3
InChIKeyFSUOPQBTEXOLFH-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.36
Rot. Bonds5

About N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine

N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine (PubChem CID 115906615) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine.

Molecular Properties

Compound NameN-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
PubChem CID115906615
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
SMILESCC#CCNC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C16H23N/c1-5-6-12-17-14(2)13-16(3,4)15-10-8-7-9-11-15/h7-11,14,17H,12-13H2,1-4H3
InChIKeyFSUOPQBTEXOLFH-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.36
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

(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
2-methyl-1-[(4-methyl-4-phenylpentan-2-yl)amino]butan-2-ol
CID 65107916
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
CID 79090233
4-methyl-4-phenyl-N-(thian-4-ylmethyl)pentan-2-amine
CID 115905762
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenylpentan-2-amine
CID 62323185
N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 62975730

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine?
The IUPAC name of N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine (CID 115906615) is N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine.
What is the SMILES notation for N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine?
The canonical SMILES for N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine is CC#CCNC(C)CC(C)(C)c1ccccc1.
What is the InChIKey of N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine?
The InChIKey is FSUOPQBTEXOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-6-12-17-14(2)13-16(3,4)15-10-8-7-9-11-15/h7-11,14,17H,12-13H2,1-4H3.
What are the key properties of N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine?
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine is sourced from PubChem (CID 115906615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).