1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine

C15H29N5 — CID 66133269

IUPAC1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
SMILESCCN1CCC(N(C)C(CN)c2cncn2CC)CC1
InChIInChI=1S/C15H29N5/c1-4-19-8-6-13(7-9-19)18(3)14(10-16)15-11-17-12-20(15)5-2/h11-14H,4-10,16H2,1-3H3
InChIKeyBKMWNOFADHZQRW-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.32
Rot. Bonds6

About 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine

1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine (PubChem CID 66133269) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
PubChem CID66133269
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
SMILESCCN1CCC(N(C)C(CN)c2cncn2CC)CC1
InChIInChI=1S/C15H29N5/c1-4-19-8-6-13(7-9-19)18(3)14(10-16)15-11-17-12-20(15)5-2/h11-14H,4-10,16H2,1-3H3
InChIKeyBKMWNOFADHZQRW-UHFFFAOYSA-N
XLogP1.32
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine (CID 66133269) is 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine is CCN1CCC(N(C)C(CN)c2cncn2CC)CC1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is BKMWNOFADHZQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-19-8-6-13(7-9-19)18(3)14(10-16)15-11-17-12-20(15)5-2/h11-14H,4-10,16H2,1-3H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine?
1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 66133269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).