1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine

C13H26N2 — CID 115689653

IUPAC1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine
SMILESCCCC1CC1NC1CCN(C(C)C)C1
InChIInChI=1S/C13H26N2/c1-4-5-11-8-13(11)14-12-6-7-15(9-12)10(2)3/h10-14H,4-9H2,1-3H3
InChIKeySWZAOVUVSYLFLR-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds5

About 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine

1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine (PubChem CID 115689653) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine
PubChem CID115689653
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine
SMILESCCCC1CC1NC1CCN(C(C)C)C1
InChIInChI=1S/C13H26N2/c1-4-5-11-8-13(11)14-12-6-7-15(9-12)10(2)3/h10-14H,4-9H2,1-3H3
InChIKeySWZAOVUVSYLFLR-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine?
The IUPAC name of 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine (CID 115689653) is 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine?
The canonical SMILES for 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine is CCCC1CC1NC1CCN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine?
The InChIKey is SWZAOVUVSYLFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-5-11-8-13(11)14-12-6-7-15(9-12)10(2)3/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine?
1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-propylcyclopropyl)pyrrolidin-3-amine is sourced from PubChem (CID 115689653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).