[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine

C12H26N2 — CID 83144621

IUPAC[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
SMILESCC(CN1CCC(CN)C1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-10(12(2,3)4)8-14-6-5-11(7-13)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeyZFYXQTUTZIMOIK-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.95
Rot. Bonds3

About [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine

[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine (PubChem CID 83144621) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
PubChem CID83144621
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
SMILESCC(CN1CCC(CN)C1)C(C)(C)C
InChIInChI=1S/C12H26N2/c1-10(12(2,3)4)8-14-6-5-11(7-13)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeyZFYXQTUTZIMOIK-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
CID 115028625
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147460
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 119484473
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
N-cyclopropyl-1-(2,3,3-trimethylbutyl)piperidin-3-amine
CID 83147276
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 103034833

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine (CID 83144621) is [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine is CC(CN1CCC(CN)C1)C(C)(C)C.
What is the InChIKey of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine?
The InChIKey is ZFYXQTUTZIMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(12(2,3)4)8-14-6-5-11(7-13)9-14/h10-11H,5-9,13H2,1-4H3.
What are the key properties of [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine?
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine has a molecular weight of 198.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83144621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).