1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol

C13H26N2O — CID 107151590

IUPAC1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC1CCN2CCCC12
InChIInChI=1S/C13H26N2O/c1-10(2)8-11(16)9-14-12-5-7-15-6-3-4-13(12)15/h10-14,16H,3-9H2,1-2H3
InChIKeyCNVTVFNPDGIPIG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds5

About 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol (PubChem CID 107151590) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol
PubChem CID107151590
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNC1CCN2CCCC12
InChIInChI=1S/C13H26N2O/c1-10(2)8-11(16)9-14-12-5-7-15-6-3-4-13(12)15/h10-14,16H,3-9H2,1-2H3
InChIKeyCNVTVFNPDGIPIG-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989689
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2,3-dimethylbutan-2-ol
CID 114492954
N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853657
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2-hydroxypropanamide
CID 106171487
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1-thiophen-2-ylethanol
CID 54967833
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-propan-2-ylpropanamide
CID 62623237
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
N-but-2-ynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62311737
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
CID 43695810
3,3,3-trifluoro-2-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-N'-hydroxypropanimidamide
CID 103369819
1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806
N-[(1-methylpyrrolidin-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 106023953

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol?
The IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol (CID 107151590) is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol is CC(C)CC(O)CNC1CCN2CCCC12.
What is the InChIKey of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol?
The InChIKey is CNVTVFNPDGIPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)8-11(16)9-14-12-5-7-15-6-3-4-13(12)15/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol?
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 107151590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).