1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine

C11H22N2 — CID 117018912

IUPAC1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine
SMILESC=CCN1CC(CNC)CC1(C)C
InChIInChI=1S/C11H22N2/c1-5-6-13-9-10(8-12-4)7-11(13,2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyGHFWLFGDYFANJZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds4

About 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine

1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 117018912) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID117018912
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine
SMILESC=CCN1CC(CNC)CC1(C)C
InChIInChI=1S/C11H22N2/c1-5-6-13-9-10(8-12-4)7-11(13,2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyGHFWLFGDYFANJZ-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117021638
N,5,5-trimethyl-1-prop-2-enylpyrrolidin-3-amine
CID 117018180
1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117018914
1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018936
1-(2,2-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117019836
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
2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-amine
CID 19090272
1-[1-(2-bromo-4-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117018975
N-methyl-1-(1,6,6-trimethylpiperidin-3-yl)methanamine
CID 117021633
1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
CID 81030775
1-(1-cyclopropyl-6,6-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 117021637

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine (CID 117018912) is 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine is C=CCN1CC(CNC)CC1(C)C.
What is the InChIKey of 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is GHFWLFGDYFANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-6-13-9-10(8-12-4)7-11(13,2)3/h5,10,12H,1,6-9H2,2-4H3.
What are the key properties of 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine?
1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-1-prop-2-enylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117018912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).