N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine

C11H20N4 — CID 174943888

IUPACN'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine
SMILESNCCN(c1ccc[nH]1)N1CCCCC1
InChIInChI=1S/C11H20N4/c12-6-10-15(11-5-4-7-13-11)14-8-2-1-3-9-14/h4-5,7,13H,1-3,6,8-10,12H2
InChIKeyBCHFXKFZOWIBSS-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.18
Rot. Bonds4

About N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine

N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine (PubChem CID 174943888) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine
PubChem CID174943888
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine
SMILESNCCN(c1ccc[nH]1)N1CCCCC1
InChIInChI=1S/C11H20N4/c12-6-10-15(11-5-4-7-13-11)14-8-2-1-3-9-14/h4-5,7,13H,1-3,6,8-10,12H2
InChIKeyBCHFXKFZOWIBSS-UHFFFAOYSA-N
XLogP1.18
TPSA48.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine (CID 174943888) is N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine is NCCN(c1ccc[nH]1)N1CCCCC1.
What is the InChIKey of N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine?
The InChIKey is BCHFXKFZOWIBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-6-10-15(11-5-4-7-13-11)14-8-2-1-3-9-14/h4-5,7,13H,1-3,6,8-10,12H2.
What are the key properties of N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine?
N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-piperidin-1-yl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 174943888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).