1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine

C17H29N3 — CID 43726410

IUPAC1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCN1CCC(C(C)Nc2ccccc2N(C)C)CC1
InChIInChI=1S/C17H29N3/c1-5-20-12-10-15(11-13-20)14(2)18-16-8-6-7-9-17(16)19(3)4/h6-9,14-15,18H,5,10-13H2,1-4H3
InChIKeyYZUWEJDRNHNTMN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.28
Rot. Bonds5

About 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43726410) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43726410
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCN1CCC(C(C)Nc2ccccc2N(C)C)CC1
InChIInChI=1S/C17H29N3/c1-5-20-12-10-15(11-13-20)14(2)18-16-8-6-7-9-17(16)19(3)4/h6-9,14-15,18H,5,10-13H2,1-4H3
InChIKeyYZUWEJDRNHNTMN-UHFFFAOYSA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43726410) is 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine is CCN1CCC(C(C)Nc2ccccc2N(C)C)CC1.
What is the InChIKey of 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is YZUWEJDRNHNTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-20-12-10-15(11-13-20)14(2)18-16-8-6-7-9-17(16)19(3)4/h6-9,14-15,18H,5,10-13H2,1-4H3.
What are the key properties of 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43726410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).