5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine

C12H26N2 — CID 82016878

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine
SMILESCC(CN)CCCN1CC(C)C(C)C1
InChIInChI=1S/C12H26N2/c1-10(7-13)5-4-6-14-8-11(2)12(3)9-14/h10-12H,4-9,13H2,1-3H3
InChIKeyGORBYNMXEDQFCZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.95
Rot. Bonds5

About 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine

5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine (PubChem CID 82016878) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine
PubChem CID82016878
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine
SMILESCC(CN)CCCN1CC(C)C(C)C1
InChIInChI=1S/C12H26N2/c1-10(7-13)5-4-6-14-8-11(2)12(3)9-14/h10-12H,4-9,13H2,1-3H3
InChIKeyGORBYNMXEDQFCZ-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine (CID 82016878) is 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine is CC(CN)CCCN1CC(C)C(C)C1.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
The InChIKey is GORBYNMXEDQFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(7-13)5-4-6-14-8-11(2)12(3)9-14/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine?
5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 82016878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).