[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine

C8H16N2 — CID 129361363

IUPAC[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
SMILESNC[C@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C8H16N2/c9-6-7-3-5-10-4-1-2-8(7)10/h7-8H,1-6,9H2/t7-,8+/m1/s1
InChIKeyQQRBHSRNSWYCKJ-SFYZADRCSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds1

About [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine

[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine (PubChem CID 129361363) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
PubChem CID129361363
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
SMILESNC[C@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C8H16N2/c9-6-7-3-5-10-4-1-2-8(7)10/h7-8H,1-6,9H2/t7-,8+/m1/s1
InChIKeyQQRBHSRNSWYCKJ-SFYZADRCSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
CID 81005227
[2-(4-methyl-1,4-diazepan-1-yl)cyclopentyl]methanamine
CID 43293580
[2-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 55158006
[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
CID 114959788
1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-N-methylmethanamine
CID 129375491
[2-[3-(methoxymethyl)piperidin-1-yl]cyclopentyl]methanamine
CID 106586143
[2-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 103503245
1-[2-(aminomethyl)cyclobutyl]-N,N-dimethylpiperidin-4-amine
CID 80999986

Frequently Asked Questions

What is the IUPAC name of [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine?
The IUPAC name of [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine (CID 129361363) is [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine.
What is the SMILES notation for [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine?
The canonical SMILES for [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine is NC[C@H]1CCN2CCC[C@@H]12.
What is the InChIKey of [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine?
The InChIKey is QQRBHSRNSWYCKJ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16N2/c9-6-7-3-5-10-4-1-2-8(7)10/h7-8H,1-6,9H2/t7-,8+/m1/s1.
What are the key properties of [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine?
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine is sourced from PubChem (CID 129361363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).