1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C15H23N3 — CID 82853207

IUPAC1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCN2CCCC12
InChIInChI=1S/C15H23N3/c1-17(2)14-7-4-3-6-12(14)16-13-9-11-18-10-5-8-15(13)18/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyIRNQJBWZWDRQDR-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.40
Rot. Bonds3

About 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 82853207) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID82853207
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1CCN2CCCC12
InChIInChI=1S/C15H23N3/c1-17(2)14-7-4-3-6-12(14)16-13-9-11-18-10-5-8-15(13)18/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3
InChIKeyIRNQJBWZWDRQDR-UHFFFAOYSA-N
XLogP2.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 82853207) is 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NC1CCN2CCCC12.
What is the InChIKey of 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is IRNQJBWZWDRQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17(2)14-7-4-3-6-12(14)16-13-9-11-18-10-5-8-15(13)18/h3-4,6-7,13,15-16H,5,8-11H2,1-2H3.
What are the key properties of 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 82853207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).