1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine

C16H31N — CID 70936687

IUPAC1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1CCN(CC2CCCCC2)C1
InChIInChI=1S/C16H31N/c1-16(2,3)11-15-9-10-17(13-15)12-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3
InChIKeyHBMIKNCSORSROO-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.32
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine

1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 70936687) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
PubChem CID70936687
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)CC1CCN(CC2CCCCC2)C1
InChIInChI=1S/C16H31N/c1-16(2,3)11-15-9-10-17(13-15)12-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3
InChIKeyHBMIKNCSORSROO-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
1,3-bis(cyclohexylmethyl)piperidine
CID 163123871
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine
CID 163498148
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
CID 114682450
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine (CID 70936687) is 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)CC1CCN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is HBMIKNCSORSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-16(2,3)11-15-9-10-17(13-15)12-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine?
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 237.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 70936687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).