2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol

C16H29NO — CID 115562041

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(CN2CC3CCCC3C2)C(O)C1
InChIInChI=1S/C16H29NO/c1-11-6-12(2)15(16(18)7-11)10-17-8-13-4-3-5-14(13)9-17/h11-16,18H,3-10H2,1-2H3
InChIKeyPYVBDXZJIUAWMA-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.76
Rot. Bonds2

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 115562041) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol
PubChem CID115562041
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(CN2CC3CCCC3C2)C(O)C1
InChIInChI=1S/C16H29NO/c1-11-6-12(2)15(16(18)7-11)10-17-8-13-4-3-5-14(13)9-17/h11-16,18H,3-10H2,1-2H3
InChIKeyPYVBDXZJIUAWMA-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol (CID 115562041) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)C(CN2CC3CCCC3C2)C(O)C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is PYVBDXZJIUAWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11-6-12(2)15(16(18)7-11)10-17-8-13-4-3-5-14(13)9-17/h11-16,18H,3-10H2,1-2H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 115562041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).