N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C16H31N3 — CID 82853529

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC1CCCCN1CCCNC1CCN2CCCC12
InChIInChI=1S/C16H31N3/c1-14-6-2-3-10-18(14)12-5-9-17-15-8-13-19-11-4-7-16(15)19/h14-17H,2-13H2,1H3
InChIKeyKCRKVYFUIUBXLG-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds5

About N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853529) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853529
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC1CCCCN1CCCNC1CCN2CCCC12
InChIInChI=1S/C16H31N3/c1-14-6-2-3-10-18(14)12-5-9-17-15-8-13-19-11-4-7-16(15)19/h14-17H,2-13H2,1H3
InChIKeyKCRKVYFUIUBXLG-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
CID 60886265
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114515203
N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853657
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
CID 106333825
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2,2-dimethylhexanenitrile
CID 106709210
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853529) is N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CC1CCCCN1CCCNC1CCN2CCCC12.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is KCRKVYFUIUBXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-6-2-3-10-18(14)12-5-9-17-15-8-13-19-11-4-7-16(15)19/h14-17H,2-13H2,1H3.
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).