1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C12H25N3O — CID 102697094

IUPAC1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCOC(C)CNC1(CN)CCN2CCCC21
InChIInChI=1S/C12H25N3O/c1-10(16-2)8-14-12(9-13)5-7-15-6-3-4-11(12)15/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQJCUFEPVQLJQDF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.18
Rot. Bonds5

About 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 102697094) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID102697094
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCOC(C)CNC1(CN)CCN2CCCC21
InChIInChI=1S/C12H25N3O/c1-10(16-2)8-14-12(9-13)5-7-15-6-3-4-11(12)15/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQJCUFEPVQLJQDF-UHFFFAOYSA-N
XLogP0.18
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850632
5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 77053377
(3aR,6aR)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 135346660
(6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 152934805
(3aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 166655921
3a-Methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 166797010
1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
CID 169228891
8-(methoxymethyl)-N-methyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
CID 169228935
ethane;1-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-N-methylmethanamine
CID 169228987
N-propan-2-yl-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
CID 169289959
N-[[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]propan-2-amine
CID 170275774
N-methyl-1-[8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methanamine
CID 172329283

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 102697094) is 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is COC(C)CNC1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is QJCUFEPVQLJQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(16-2)8-14-12(9-13)5-7-15-6-3-4-11(12)15/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 227.35 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxypropyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 102697094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).