[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H24N4O — CID 114718920

IUPAC[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1C1CCN2CCCC12)C1CCOC1
InChIInChI=1S/C15H24N4O/c16-15(11-4-7-20-9-11)14-8-17-10-19(14)13-3-6-18-5-1-2-12(13)18/h8,10-13,15H,1-7,9,16H2
InChIKeyVCDZAVUSICTSTA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.33
Rot. Bonds3

About [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114718920) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114718920
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1C1CCN2CCCC12)C1CCOC1
InChIInChI=1S/C15H24N4O/c16-15(11-4-7-20-9-11)14-8-17-10-19(14)13-3-6-18-5-1-2-12(13)18/h8,10-13,15H,1-7,9,16H2
InChIKeyVCDZAVUSICTSTA-UHFFFAOYSA-N
XLogP1.33
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine
CID 104942556
(3-cyclopent-3-en-1-ylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 114722429
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-(2-methylbutan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717319
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114719164
[3-(2-methylsulfanylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 107649077
oxolan-3-yl-[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methanamine
CID 114720059
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114718920) is [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine is NC(c1cncn1C1CCN2CCCC12)C1CCOC1.
What is the InChIKey of [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is VCDZAVUSICTSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-15(11-4-7-20-9-11)14-8-17-10-19(14)13-3-6-18-5-1-2-12(13)18/h8,10-13,15H,1-7,9,16H2.
What are the key properties of [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 276.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114718920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).