N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C15H26N4 — CID 106566147

IUPACN-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCn1cc(C)nc1NC1CCN2CCCC12
InChIInChI=1S/C15H26N4/c1-3-4-8-19-11-12(2)16-15(19)17-13-7-10-18-9-5-6-14(13)18/h11,13-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyHXTRODHPQGALRY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds5

About N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 106566147) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID106566147
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCn1cc(C)nc1NC1CCN2CCCC12
InChIInChI=1S/C15H26N4/c1-3-4-8-19-11-12(2)16-15(19)17-13-7-10-18-9-5-6-14(13)18/h11,13-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyHXTRODHPQGALRY-UHFFFAOYSA-N
XLogP2.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 106566147) is N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCCn1cc(C)nc1NC1CCN2CCCC12.
What is the InChIKey of N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is HXTRODHPQGALRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-4-8-19-11-12(2)16-15(19)17-13-7-10-18-9-5-6-14(13)18/h11,13-14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-4-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 106566147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).