1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

C14H28N2O — CID 113335634

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CC2CCCC2C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-14(3,17)10-16-7-12-5-4-6-13(12)8-16/h11-13,15,17H,4-10H2,1-3H3
InChIKeyNLXLLACYILJIOB-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.47
Rot. Bonds5

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 113335634) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID113335634
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CC2CCCC2C1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-14(3,17)10-16-7-12-5-4-6-13(12)8-16/h11-13,15,17H,4-10H2,1-3H3
InChIKeyNLXLLACYILJIOB-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

2-methyl-1-(3-methylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 66335003
1-(3-tert-butylpyrrolidin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 113417212
1-(4-cyclopentylpiperazin-1-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335773
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 102725900
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
CID 115561579
1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol
CID 114496659
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide
CID 115561578
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-3-methylbutan-2-amine
CID 115562332
2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 66336663

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 113335634) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)CN1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is NLXLLACYILJIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-9-14(3,17)10-16-7-12-5-4-6-13(12)8-16/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 113335634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).