2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine

C12H23N — CID 176727262

IUPAC2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC(C)C1(C)C(C)C
InChIInChI=1S/C12H23N/c1-6-8-13-9-7-11(4)12(13,5)10(2)3/h6,10-11H,1,7-9H2,2-5H3
InChIKeyAZAFFRUPSCIWKS-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds3

About 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine

2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine (PubChem CID 176727262) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine
PubChem CID176727262
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC(C)C1(C)C(C)C
InChIInChI=1S/C12H23N/c1-6-8-13-9-7-11(4)12(13,5)10(2)3/h6,10-11H,1,7-9H2,2-5H3
InChIKeyAZAFFRUPSCIWKS-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)ethanamine
CID 117020528
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
CID 117020468
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
1-(2,2-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117019836
2-prop-2-enyl-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 70355375
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine
CID 117018180
1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117021638
1,2,2,3-tetrakis(prop-2-enyl)piperidin-4-amine
CID 67878833
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
3,3-dimethyl-1-prop-2-enylpyrrolidine-2-carbonitrile
CID 102030228
1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018912

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine?
The IUPAC name of 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine (CID 176727262) is 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine is C=CCN1CCC(C)C1(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine?
The InChIKey is AZAFFRUPSCIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-13-9-7-11(4)12(13,5)10(2)3/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine?
2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 176727262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).