3,4-dimethyl-1-propan-2-ylpyrrolidine

C9H19N — CID 20737893

IUPAC3,4-dimethyl-1-propan-2-ylpyrrolidine
SMILESCC1CN(C(C)C)CC1C
InChIInChI=1S/C9H19N/c1-7(2)10-5-8(3)9(4)6-10/h7-9H,5-6H2,1-4H3
InChIKeyKVKKSKOPQRYKMO-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds1

About 3,4-dimethyl-1-propan-2-ylpyrrolidine

3,4-dimethyl-1-propan-2-ylpyrrolidine (PubChem CID 20737893) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,4-dimethyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3,4-dimethyl-1-propan-2-ylpyrrolidine
PubChem CID20737893
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,4-dimethyl-1-propan-2-ylpyrrolidine
SMILESCC1CN(C(C)C)CC1C
InChIInChI=1S/C9H19N/c1-7(2)10-5-8(3)9(4)6-10/h7-9H,5-6H2,1-4H3
InChIKeyKVKKSKOPQRYKMO-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
4-methoxy-3,5-dimethyl-1-propan-2-ylpiperidine
CID 118444678
(3S)-3-methyl-1,4-di(propan-2-yl)pyrrolidine
CID 172541479
2,6,7-trimethyl-4-propan-2-yl-1,4-oxazepane
CID 176594257
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
3,5-dimethyl-1-propan-2-ylpiperidin-4-one
CID 59563444
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3,4-dimethyl-1-propan-2-ylpyrrolidine (CID 20737893) is 3,4-dimethyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3,4-dimethyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3,4-dimethyl-1-propan-2-ylpyrrolidine is CC1CN(C(C)C)CC1C.
What is the InChIKey of 3,4-dimethyl-1-propan-2-ylpyrrolidine?
The InChIKey is KVKKSKOPQRYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)10-5-8(3)9(4)6-10/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-propan-2-ylpyrrolidine?
3,4-dimethyl-1-propan-2-ylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 20737893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).