4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine

C18H28N2 — CID 43829669

IUPAC4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine
SMILESC=CCC(N)(c1ccccc1)C(CCC)N1CCCC1
InChIInChI=1S/C18H28N2/c1-3-10-17(20-14-8-9-15-20)18(19,13-4-2)16-11-6-5-7-12-16/h4-7,11-12,17H,2-3,8-10,13-15,19H2,1H3
InChIKeyFDDBYUAVOHHNNA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.68
Rot. Bonds7

About 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine

4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine (PubChem CID 43829669) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine.

Molecular Properties

Compound Name4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine
PubChem CID43829669
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine
SMILESC=CCC(N)(c1ccccc1)C(CCC)N1CCCC1
InChIInChI=1S/C18H28N2/c1-3-10-17(20-14-8-9-15-20)18(19,13-4-2)16-11-6-5-7-12-16/h4-7,11-12,17H,2-3,8-10,13-15,19H2,1H3
InChIKeyFDDBYUAVOHHNNA-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.68
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

5-(azepan-1-yl)-4-phenyloct-1-en-4-amine
CID 43829671
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
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
2-methyl-3-phenyl-3-piperidin-1-ylhex-5-enal
CID 88711177
(2R,3S)-3-amino-2-phenyl-2-prop-2-enyloctanoic acid
CID 134957899
4-propylhept-1-en-4-ylbenzene
CID 123221616
1,2-diphenyl-1-pyrrolidin-1-ylpropan-2-amine
CID 43829706
1,1-diphenylpentan-1-amine
CID 10263654

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine?
The IUPAC name of 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine (CID 43829669) is 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine.
What is the SMILES notation for 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine?
The canonical SMILES for 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine is C=CCC(N)(c1ccccc1)C(CCC)N1CCCC1.
What is the InChIKey of 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine?
The InChIKey is FDDBYUAVOHHNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-10-17(20-14-8-9-15-20)18(19,13-4-2)16-11-6-5-7-12-16/h4-7,11-12,17H,2-3,8-10,13-15,19H2,1H3.
What are the key properties of 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine?
4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-pyrrolidin-1-yloct-1-en-4-amine is sourced from PubChem (CID 43829669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).