1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine

C8H16N2 — CID 10654304

IUPAC1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
SMILESNCC12CCCN1CCC2
InChIInChI=1S/C8H16N2/c9-7-8-3-1-5-10(8)6-2-4-8/h1-7,9H2
InChIKeyYSMMVKXAJZFXHK-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.57
Rot. Bonds1

About 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine

1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine (PubChem CID 10654304) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
PubChem CID10654304
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
SMILESNCC12CCCN1CCC2
InChIInChI=1S/C8H16N2/c9-7-8-3-1-5-10(8)6-2-4-8/h1-7,9H2
InChIKeyYSMMVKXAJZFXHK-UHFFFAOYSA-N
XLogP0.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 106660987
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine
CID 35743000
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-ylmethanamine
CID 118121133
4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 105451787
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
[1-(1-oxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine
CID 82235421
[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
CID 24705250

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine?
The IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine (CID 10654304) is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine.
What is the SMILES notation for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine?
The canonical SMILES for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine is NCC12CCCN1CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine?
The InChIKey is YSMMVKXAJZFXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-7-8-3-1-5-10(8)6-2-4-8/h1-7,9H2.
What are the key properties of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine?
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine is sourced from PubChem (CID 10654304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).