2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

C9H21N3 — CID 103387444

IUPAC2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCC(CN)NCCN1CCCC1
InChIInChI=1S/C9H21N3/c1-9(8-10)11-4-7-12-5-2-3-6-12/h9,11H,2-8,10H2,1H3
InChIKeyBGSSKTCIEFGJFY-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.02
Rot. Bonds5

About 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine

2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (PubChem CID 103387444) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
PubChem CID103387444
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
SMILESCC(CN)NCCN1CCCC1
InChIInChI=1S/C9H21N3/c1-9(8-10)11-4-7-12-5-2-3-6-12/h9,11H,2-8,10H2,1H3
InChIKeyBGSSKTCIEFGJFY-UHFFFAOYSA-N
XLogP0.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
CID 107913763
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
1-(2-piperidin-1-ylethylamino)ethanethiol
CID 129067667
N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
2-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 65229412
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine (CID 103387444) is 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is CC(CN)NCCN1CCCC1.
What is the InChIKey of 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
The InChIKey is BGSSKTCIEFGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(8-10)11-4-7-12-5-2-3-6-12/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine?
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine has a molecular weight of 171.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 103387444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).