N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine

C12H23N3 — CID 79504548

IUPACN'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1=NCCC1)C1CCCC1
InChIInChI=1S/C12H23N3/c1-15(11-5-2-3-6-11)10-9-14-12-7-4-8-13-12/h11H,2-10H2,1H3,(H,13,14)
InChIKeyOMPLCBRYCNTBOT-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.64
Rot. Bonds4

About N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine (PubChem CID 79504548) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine
PubChem CID79504548
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1=NCCC1)C1CCCC1
InChIInChI=1S/C12H23N3/c1-15(11-5-2-3-6-11)10-9-14-12-7-4-8-13-12/h11H,2-10H2,1H3,(H,13,14)
InChIKeyOMPLCBRYCNTBOT-UHFFFAOYSA-N
XLogP1.64
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine (CID 79504548) is N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine is CN(CCNC1=NCCC1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine?
The InChIKey is OMPLCBRYCNTBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-15(11-5-2-3-6-11)10-9-14-12-7-4-8-13-12/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79504548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).