[3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

C15H29N3O — CID 168813759

IUPAC[3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESNCCCCCCC1CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C15H29N3O/c16-9-4-2-1-3-6-13-8-11-18(12-13)15(19)14-7-5-10-17-14/h13-14,17H,1-12,16H2
InChIKeyNILLUNVTNGRHRV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.50
Rot. Bonds7

About [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

[3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 168813759) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID168813759
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESNCCCCCCC1CCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C15H29N3O/c16-9-4-2-1-3-6-13-8-11-18(12-13)15(19)14-7-5-10-17-14/h13-14,17H,1-12,16H2
InChIKeyNILLUNVTNGRHRV-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-{[(2S,5R)-5-(propan-2-yl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 11602713
(S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 13578534
(S)-1-((3S,5S)-3-propylpyrrolidine-5-carbonyl)pyrrolidine-2-carbonitrile
CID 44429117
(2S)-1-{[(2S,4S)-4-isobutyl-2-pyrrolidinyl]carbonyl}-2-pyrrolidinecarbonitrile
CID 44429120
(2S)-1-{[(2S,4R)-4-cyclohexyl-2-pyrrolidinyl]carbonyl}-2-pyrrolidinecarbonitrile
CID 44429122
Proline amide derivative 1
CID 57325416
Proline scaffold, 9
CID 42618107
Proline scaffold, 29
CID 42618126
L-Prolyl-L-leucyl-L-prolinamide
CID 71377041
Cyclo-(Leu-Pro-Ile-Pro)
CID 156581136
Cyclo(Pro-Leu-Pro-Ile)
CID 10938709
N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 18926474

Frequently Asked Questions

What is the IUPAC name of [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (CID 168813759) is [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is NCCCCCCC1CCN(C(=O)C2CCCN2)C1.
What is the InChIKey of [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is NILLUNVTNGRHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c16-9-4-2-1-3-6-13-8-11-18(12-13)15(19)14-7-5-10-17-14/h13-14,17H,1-12,16H2.
What are the key properties of [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
[3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 267.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-aminohexyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 168813759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).