3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine

C12H25N — CID 139460270

IUPAC3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine
SMILESCC[C@H](C1CCN(C)C1)C(C)(C)C
InChIInChI=1S/C12H25N/c1-6-11(12(2,3)4)10-7-8-13(5)9-10/h10-11H,6-9H2,1-5H3/t10?,11-/m1/s1
InChIKeyVXCKIVRQPWOCOJ-RRKGBCIJSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds2

About 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine

3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine (PubChem CID 139460270) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine
PubChem CID139460270
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine
SMILESCC[C@H](C1CCN(C)C1)C(C)(C)C
InChIInChI=1S/C12H25N/c1-6-11(12(2,3)4)10-7-8-13(5)9-10/h10-11H,6-9H2,1-5H3/t10?,11-/m1/s1
InChIKeyVXCKIVRQPWOCOJ-RRKGBCIJSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
CID 58945115
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 116949101
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230
1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine
CID 139460422
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine?
The IUPAC name of 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine (CID 139460270) is 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine?
The canonical SMILES for 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine is CC[C@H](C1CCN(C)C1)C(C)(C)C.
What is the InChIKey of 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine?
The InChIKey is VXCKIVRQPWOCOJ-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25N/c1-6-11(12(2,3)4)10-7-8-13(5)9-10/h10-11H,6-9H2,1-5H3/t10?,11-/m1/s1.
What are the key properties of 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine?
3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine is sourced from PubChem (CID 139460270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).