5-(azepan-1-yl)-4-phenyloct-1-en-4-amine

C20H32N2 — CID 43829671

IUPAC5-(azepan-1-yl)-4-phenyloct-1-en-4-amine
SMILESC=CCC(N)(c1ccccc1)C(CCC)N1CCCCCC1
InChIInChI=1S/C20H32N2/c1-3-12-19(22-16-10-5-6-11-17-22)20(21,15-4-2)18-13-8-7-9-14-18/h4,7-9,13-14,19H,2-3,5-6,10-12,15-17,21H2,1H3
InChIKeyILUCGZPXWFEEKZ-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.46
Rot. Bonds7

About 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine

5-(azepan-1-yl)-4-phenyloct-1-en-4-amine (PubChem CID 43829671) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine.

Molecular Properties

Compound Name5-(azepan-1-yl)-4-phenyloct-1-en-4-amine
PubChem CID43829671
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name5-(azepan-1-yl)-4-phenyloct-1-en-4-amine
SMILESC=CCC(N)(c1ccccc1)C(CCC)N1CCCCCC1
InChIInChI=1S/C20H32N2/c1-3-12-19(22-16-10-5-6-11-17-22)20(21,15-4-2)18-13-8-7-9-14-18/h4,7-9,13-14,19H,2-3,5-6,10-12,15-17,21H2,1H3
InChIKeyILUCGZPXWFEEKZ-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine
CID 43829669
3-phenyl-4-pyrrolidin-1-ylheptan-3-amine
CID 43829646
4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine
CID 43830783
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
2-methyl-3-phenyl-3-piperidin-1-ylhex-5-enal
CID 88711177
3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
CID 43829684
(3R)-2-methyl-3-phenylheptan-3-amine
CID 53487426
(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine
CID 101191309
1-(azepan-1-yl)-2-phenylhexan-2-amine
CID 43829768
(2R,3S)-3-amino-2-phenyl-2-prop-2-enyloctanoic acid
CID 134957899
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
4-propylhept-1-en-4-ylbenzene
CID 123221616

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine?
The IUPAC name of 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine (CID 43829671) is 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine.
What is the SMILES notation for 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine?
The canonical SMILES for 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine is C=CCC(N)(c1ccccc1)C(CCC)N1CCCCCC1.
What is the InChIKey of 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine?
The InChIKey is ILUCGZPXWFEEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-3-12-19(22-16-10-5-6-11-17-22)20(21,15-4-2)18-13-8-7-9-14-18/h4,7-9,13-14,19H,2-3,5-6,10-12,15-17,21H2,1H3.
What are the key properties of 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine?
5-(azepan-1-yl)-4-phenyloct-1-en-4-amine has a molecular weight of 300.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-4-phenyloct-1-en-4-amine is sourced from PubChem (CID 43829671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).