(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine

C11H23N — CID 172541479

IUPAC(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CN(C(C)C)C[C@H]1C
InChIInChI=1S/C11H23N/c1-8(2)11-7-12(9(3)4)6-10(11)5/h8-11H,6-7H2,1-5H3/t10-,11?/m1/s1
InChIKeyVHAFAORPEAANGZ-NFJWQWPMSA-N
MW169.31 g/mol
LogP2.62
Rot. Bonds2

About (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine

(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine (PubChem CID 172541479) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine
PubChem CID172541479
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CN(C(C)C)C[C@H]1C
InChIInChI=1S/C11H23N/c1-8(2)11-7-12(9(3)4)6-10(11)5/h8-11H,6-7H2,1-5H3/t10-,11?/m1/s1
InChIKeyVHAFAORPEAANGZ-NFJWQWPMSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
4-methoxy-3,5-dimethyl-1-propan-2-ylpiperidine
CID 118444678
2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane
CID 176594257
1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 58778381
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
3,5-dimethyl-1-propan-2-ylpiperidin-4-one
CID 59563444
methyl 1,4-di(propan-2-yl)pyrrolidine-3-carboxylate
CID 167252053

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine?
The IUPAC name of (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine (CID 172541479) is (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine is CC(C)C1CN(C(C)C)C[C@H]1C.
What is the InChIKey of (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine?
The InChIKey is VHAFAORPEAANGZ-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)11-7-12(9(3)4)6-10(11)5/h8-11H,6-7H2,1-5H3/t10-,11?/m1/s1.
What are the key properties of (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine?
(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 172541479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).