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

C11H18N4 — CID 62133317

IUPACN-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCn1ccnc1NC1CCN2CCCC12
InChIInChI=1S/C11H18N4/c1-14-8-5-12-11(14)13-9-4-7-15-6-2-3-10(9)15/h5,8-10H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyPLMRNFUIVIDTEJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.07
Rot. Bonds2

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

N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 62133317) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID62133317
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCn1ccnc1NC1CCN2CCCC12
InChIInChI=1S/C11H18N4/c1-14-8-5-12-11(14)13-9-4-7-15-6-2-3-10(9)15/h5,8-10H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyPLMRNFUIVIDTEJ-UHFFFAOYSA-N
XLogP1.07
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 62133317) is N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Cn1ccnc1NC1CCN2CCCC12.
What is the InChIKey of N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is PLMRNFUIVIDTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-14-8-5-12-11(14)13-9-4-7-15-6-2-3-10(9)15/h5,8-10H,2-4,6-7H2,1H3,(H,12,13).
What are the key properties of N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 62133317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).