(2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine

C13H27NO — CID 130401216

IUPAC(2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine
SMILESCCCCC(C)(C)N1C[C@@H](OC)C[C@@H]1C
InChIInChI=1S/C13H27NO/c1-6-7-8-13(3,4)14-10-12(15-5)9-11(14)2/h11-12H,6-10H2,1-5H3/t11-,12-/m0/s1
InChIKeyBVZDYCARLGIBNS-RYUDHWBXSA-N
MW213.36 g/mol
LogP3.06
Rot. Bonds5

About (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine

(2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine (PubChem CID 130401216) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine
PubChem CID130401216
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine
SMILESCCCCC(C)(C)N1C[C@@H](OC)C[C@@H]1C
InChIInChI=1S/C13H27NO/c1-6-7-8-13(3,4)14-10-12(15-5)9-11(14)2/h11-12H,6-10H2,1-5H3/t11-,12-/m0/s1
InChIKeyBVZDYCARLGIBNS-RYUDHWBXSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methoxy-1-(2-methylpentan-2-yl)piperidine
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2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
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4-methoxy-1,2,6-trimethylpiperidine
CID 59421649
(2S)-2-(methoxymethyl)-1-(5-methylundecan-5-yl)pyrrolidine
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tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane
CID 141203202
CID 173390363
CID 173390363
heptane;methoxycyclopentane
CID 131735357
1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
2,4,6-trimethyl-1,1-bis(2-methylhexan-2-ylperoxy)cyclohexane
CID 101294728
5-(dimethoxymethyl)-5-methylundecane
CID 139546819

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine?
The IUPAC name of (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine (CID 130401216) is (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine.
What is the SMILES notation for (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine?
The canonical SMILES for (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine is CCCCC(C)(C)N1C[C@@H](OC)C[C@@H]1C.
What is the InChIKey of (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine?
The InChIKey is BVZDYCARLGIBNS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-13(3,4)14-10-12(15-5)9-11(14)2/h11-12H,6-10H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine?
(2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-2-methyl-1-(2-methylhexan-2-yl)pyrrolidine is sourced from PubChem (CID 130401216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).