1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine

C12H26N2 — CID 117018914

IUPAC1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(CC(C)C)C(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10(2)8-14-9-11(7-13-5)6-12(14,3)4/h10-11,13H,6-9H2,1-5H3
InChIKeyJDSPQVVQMIEBAK-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds4

About 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 117018914) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID117018914
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CN(CC(C)C)C(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10(2)8-14-9-11(7-13-5)6-12(14,3)4/h10-11,13H,6-9H2,1-5H3
InChIKeyJDSPQVVQMIEBAK-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 117018914) is 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CN(CC(C)C)C(C)(C)C1.
What is the InChIKey of 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is JDSPQVVQMIEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)8-14-9-11(7-13-5)6-12(14,3)4/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[5,5-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 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-(2-methylpropyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 117018914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).