N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine

C13H28N2 — CID 63219992

IUPACN-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCN1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-12(2)11-14-8-6-10-15-9-5-7-13(15,3)4/h12,14H,5-11H2,1-4H3
InChIKeyJZYASOAWOBZQFZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine

N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 63219992) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID63219992
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCN1CCCC1(C)C
InChIInChI=1S/C13H28N2/c1-12(2)11-14-8-6-10-15-9-5-7-13(15,3)4/h12,14H,5-11H2,1-4H3
InChIKeyJZYASOAWOBZQFZ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine (CID 63219992) is N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCCCN1CCCC1(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is JZYASOAWOBZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)11-14-8-6-10-15-9-5-7-13(15,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine?
N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63219992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).