N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine

C13H27N3 — CID 79645337

IUPACN'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCN(C2CC2)C1
InChIInChI=1S/C13H27N3/c1-13(2,9-14)10-15(3)12-6-7-16(8-12)11-4-5-11/h11-12H,4-10,14H2,1-3H3
InChIKeyIVYREIPTKRGNBS-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds5

About N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine

N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79645337) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79645337
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCN(C2CC2)C1
InChIInChI=1S/C13H27N3/c1-13(2,9-14)10-15(3)12-6-7-16(8-12)11-4-5-11/h11-12H,4-10,14H2,1-3H3
InChIKeyIVYREIPTKRGNBS-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine (CID 79645337) is N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine is CN(CC(C)(C)CN)C1CCN(C2CC2)C1.
What is the InChIKey of N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is IVYREIPTKRGNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2,9-14)10-15(3)12-6-7-16(8-12)11-4-5-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79645337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).