4-phenyloct-1-yn-4-amine

C14H19N — CID 10845757

IUPAC4-phenyloct-1-yn-4-amine
SMILESC#CCC(N)(CCCC)c1ccccc1
InChIInChI=1S/C14H19N/c1-3-5-12-14(15,11-4-2)13-9-7-6-8-10-13/h2,6-10H,3,5,11-12,15H2,1H3
InChIKeyBRLWESRYEULCNZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.05
Rot. Bonds5

About 4-phenyloct-1-yn-4-amine

4-phenyloct-1-yn-4-amine (PubChem CID 10845757) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-phenyloct-1-yn-4-amine.

Molecular Properties

Compound Name4-phenyloct-1-yn-4-amine
PubChem CID10845757
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-phenyloct-1-yn-4-amine
SMILESC#CCC(N)(CCCC)c1ccccc1
InChIInChI=1S/C14H19N/c1-3-5-12-14(15,11-4-2)13-9-7-6-8-10-13/h2,6-10H,3,5,11-12,15H2,1H3
InChIKeyBRLWESRYEULCNZ-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.05
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

1,1-diphenylpentan-1-amine
CID 10263654
1-(azepan-1-yl)-2-phenylhexan-2-amine
CID 43829768
(2S)-2-phenylhexan-2-amine
CID 10889241
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
1,1-diphenylhexan-1-amine
CID 20568221
3-phenylhexan-3-amine
CID 60794511
1,1-diphenyldodecan-1-amine
CID 19925745
(3R)-2-methyl-3-phenylheptan-3-amine
CID 53487426
2-amino-2-phenylpentan-1-ol
CID 61056433
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
2-phenyldecan-2-amine
CID 63408050

Frequently Asked Questions

What is the IUPAC name of 4-phenyloct-1-yn-4-amine?
The IUPAC name of 4-phenyloct-1-yn-4-amine (CID 10845757) is 4-phenyloct-1-yn-4-amine.
What is the SMILES notation for 4-phenyloct-1-yn-4-amine?
The canonical SMILES for 4-phenyloct-1-yn-4-amine is C#CCC(N)(CCCC)c1ccccc1.
What is the InChIKey of 4-phenyloct-1-yn-4-amine?
The InChIKey is BRLWESRYEULCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-5-12-14(15,11-4-2)13-9-7-6-8-10-13/h2,6-10H,3,5,11-12,15H2,1H3.
What are the key properties of 4-phenyloct-1-yn-4-amine?
4-phenyloct-1-yn-4-amine has a molecular weight of 201.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyloct-1-yn-4-amine is sourced from PubChem (CID 10845757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).