(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine

C12H23NO — CID 99994966

IUPAC(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1C[C@H](OCC2CC2)CN1
InChIInChI=1S/C12H23NO/c1-9(2)5-11-6-12(7-13-11)14-8-10-3-4-10/h9-13H,3-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyMYNQDHWWOYYIKI-RYUDHWBXSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine

(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine (PubChem CID 99994966) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine
PubChem CID99994966
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1C[C@H](OCC2CC2)CN1
InChIInChI=1S/C12H23NO/c1-9(2)5-11-6-12(7-13-11)14-8-10-3-4-10/h9-13H,3-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyMYNQDHWWOYYIKI-RYUDHWBXSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
CID 99994354
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
CID 99994645
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
(2R,5S)-2-benzyl-5-(cyclopropylmethoxy)piperidine
CID 129201695
1-(1-cyclopropylbutan-2-yl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64941639
3-(cyclopropylmethoxy)-1-(2-methylpropyl)azetidine
CID 174892843
3-(cyclobutylmethoxy)azetidine;hydrochloride
CID 75365400
1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
CID 58555576
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine (CID 99994966) is (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine is CC(C)C[C@H]1C[C@H](OCC2CC2)CN1.
What is the InChIKey of (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is MYNQDHWWOYYIKI-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)5-11-6-12(7-13-11)14-8-10-3-4-10/h9-13H,3-8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine?
(2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(cyclopropylmethoxy)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 99994966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).