N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine

C12H25N3 — CID 61494106

IUPACN'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESNCCN(CCCN1CCCC1)C1CC1
InChIInChI=1S/C12H25N3/c13-6-11-15(12-4-5-12)10-3-9-14-7-1-2-8-14/h12H,1-11,13H2
InChIKeyXSPGPTSLAFHKMZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.90
Rot. Bonds7

About N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine

N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (PubChem CID 61494106) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
PubChem CID61494106
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESNCCN(CCCN1CCCC1)C1CC1
InChIInChI=1S/C12H25N3/c13-6-11-15(12-4-5-12)10-3-9-14-7-1-2-8-14/h12H,1-11,13H2
InChIKeyXSPGPTSLAFHKMZ-UHFFFAOYSA-N
XLogP0.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (CID 61494106) is N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is NCCN(CCCN1CCCC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The InChIKey is XSPGPTSLAFHKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c13-6-11-15(12-4-5-12)10-3-9-14-7-1-2-8-14/h12H,1-11,13H2.
What are the key properties of N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 61494106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).