4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine

C17H25N — CID 106225553

IUPAC4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine
SMILESC#CC(CC)NC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N/c1-6-16(7-2)18-14(3)13-17(4,5)15-11-9-8-10-12-15/h1,8-12,14,16,18H,7,13H2,2-5H3
InChIKeyMPQGXJSJFWSAHY-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.74
Rot. Bonds6

About 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine

4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine (PubChem CID 106225553) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine
PubChem CID106225553
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine
SMILESC#CC(CC)NC(C)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N/c1-6-16(7-2)18-14(3)13-17(4,5)15-11-9-8-10-12-15/h1,8-12,14,16,18H,7,13H2,2-5H3
InChIKeyMPQGXJSJFWSAHY-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.74
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

4-methyl-4-phenyl-N-[(1R)-1-phenylethyl]pentan-2-amine
CID 81351069
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
N-(4-methyl-4-phenylpentan-2-yl)pyrrol-1-amine
CID 79090233
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,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
N-pent-1-yn-3-ylaniline
CID 91154243

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine?
The IUPAC name of 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine (CID 106225553) is 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine.
What is the SMILES notation for 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine?
The canonical SMILES for 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine is C#CC(CC)NC(C)CC(C)(C)c1ccccc1.
What is the InChIKey of 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine?
The InChIKey is MPQGXJSJFWSAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-6-16(7-2)18-14(3)13-17(4,5)15-11-9-8-10-12-15/h1,8-12,14,16,18H,7,13H2,2-5H3.
What are the key properties of 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine?
4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pent-1-yn-3-yl-4-phenylpentan-2-amine is sourced from PubChem (CID 106225553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).