(3S)-3-(cyclohexylmethyl)pyrrolidine

C11H21N — CID 86324106

IUPAC(3S)-3-(cyclohexylmethyl)pyrrolidine
SMILESC1CCC(C[C@H]2CCNC2)CC1
InChIInChI=1S/C11H21N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h10-12H,1-9H2/t11-/m1/s1
InChIKeyDFAPGTCUGVCLLS-LLVKDONJSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds2

About (3S)-3-(cyclohexylmethyl)pyrrolidine

(3S)-3-(cyclohexylmethyl)pyrrolidine (PubChem CID 86324106) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3S)-3-(cyclohexylmethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(cyclohexylmethyl)pyrrolidine
PubChem CID86324106
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3S)-3-(cyclohexylmethyl)pyrrolidine
SMILESC1CCC(C[C@H]2CCNC2)CC1
InChIInChI=1S/C11H21N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h10-12H,1-9H2/t11-/m1/s1
InChIKeyDFAPGTCUGVCLLS-LLVKDONJSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
cyclohexylmethylcyclohexane;piperazine
CID 174648338
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
cyclopentadecylmethylcyclopentadecane
CID 91804599
4-(cyclohexylmethyl)piperidin-3-amine
CID 84774080
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-[(4-methoxycyclohexyl)methyl]piperidine
CID 84734618
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 63006333

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclohexylmethyl)pyrrolidine?
The IUPAC name of (3S)-3-(cyclohexylmethyl)pyrrolidine (CID 86324106) is (3S)-3-(cyclohexylmethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(cyclohexylmethyl)pyrrolidine?
The canonical SMILES for (3S)-3-(cyclohexylmethyl)pyrrolidine is C1CCC(C[C@H]2CCNC2)CC1.
What is the InChIKey of (3S)-3-(cyclohexylmethyl)pyrrolidine?
The InChIKey is DFAPGTCUGVCLLS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h10-12H,1-9H2/t11-/m1/s1.
What are the key properties of (3S)-3-(cyclohexylmethyl)pyrrolidine?
(3S)-3-(cyclohexylmethyl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclohexylmethyl)pyrrolidine is sourced from PubChem (CID 86324106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).