N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C15H26N4 — CID 66150941

IUPACN-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1C1CCN2CCCC12
InChIInChI=1S/C15H26N4/c1-15(2,3)17-10-12-9-16-11-19(12)14-6-8-18-7-4-5-13(14)18/h9,11,13-14,17H,4-8,10H2,1-3H3
InChIKeyZKALHNSQONMBHN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds3

About N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66150941) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66150941
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1C1CCN2CCCC12
InChIInChI=1S/C15H26N4/c1-15(2,3)17-10-12-9-16-11-19(12)14-6-8-18-7-4-5-13(14)18/h9,11,13-14,17H,4-8,10H2,1-3H3
InChIKeyZKALHNSQONMBHN-UHFFFAOYSA-N
XLogP2.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66150941) is N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1C1CCN2CCCC12.
What is the InChIKey of N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZKALHNSQONMBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,3)17-10-12-9-16-11-19(12)14-6-8-18-7-4-5-13(14)18/h9,11,13-14,17H,4-8,10H2,1-3H3.
What are the key properties of N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66150941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).