[(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

C10H16N2 — CID 155072682

IUPAC[(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESC#C[C@@H]1CN2CCC[C@@]2(CN)C1
InChIInChI=1S/C10H16N2/c1-2-9-6-10(8-11)4-3-5-12(10)7-9/h1,9H,3-8,11H2/t9-,10-/m0/s1
InChIKeyYQHDONCERSWLSC-UWVGGRQHSA-N
MW164.25 g/mol
LogP0.43
Rot. Bonds1

About [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

[(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (PubChem CID 155072682) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.

Molecular Properties

Compound Name[(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
PubChem CID155072682
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name[(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESC#C[C@@H]1CN2CCC[C@@]2(CN)C1
InChIInChI=1S/C10H16N2/c1-2-9-6-10(8-11)4-3-5-12(10)7-9/h1,9H,3-8,11H2/t9-,10-/m0/s1
InChIKeyYQHDONCERSWLSC-UWVGGRQHSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine with MolForge

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Related Compounds

(Hexahydro-1H-pyrrolizin-7A-YL)methanamine
CID 10654304
(Tetrahydro-1H-pyrrolizin-7a(5H)-ylmethyl)amine dihydrochloride
CID 53398819
[2-(Difluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 168881463
[(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 11095041
1-(Hexahydro-1H-pyrrolizin-7a-yl)-N-methylmethanamine
CID 10606991
(1,7-Dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 21858341
rel-((2R,7aS)-2-Methylhexahydro-1H-pyrrolizin-7a-yl)methanamine
CID 118109077
[(2R,8R)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109080
[(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109226
[(2S,8R)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109228
(2,2-Dimethyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanamine
CID 118121041
(2-Methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 118121123

Frequently Asked Questions

What is the IUPAC name of [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The IUPAC name of [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (CID 155072682) is [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.
What is the SMILES notation for [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The canonical SMILES for [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is C#C[C@@H]1CN2CCC[C@@]2(CN)C1.
What is the InChIKey of [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The InChIKey is YQHDONCERSWLSC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-9-6-10(8-11)4-3-5-12(10)7-9/h1,9H,3-8,11H2/t9-,10-/m0/s1.
What are the key properties of [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
[(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine has a molecular weight of 164.25 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 [(2R,8S)-2-ethynyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is sourced from PubChem (CID 155072682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).