N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C14H27N5 — CID 66117307

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCCN1CCC(N(C)C(CN)c2cncn2C)CC1
InChIInChI=1S/C14H27N5/c1-4-19-7-5-12(6-8-19)18(3)13(9-15)14-10-16-11-17(14)2/h10-13H,4-9,15H2,1-3H3
InChIKeyQLVSFTWHXYUAHF-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.84
Rot. Bonds5

About N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66117307) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66117307
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCCN1CCC(N(C)C(CN)c2cncn2C)CC1
InChIInChI=1S/C14H27N5/c1-4-19-7-5-12(6-8-19)18(3)13(9-15)14-10-16-11-17(14)2/h10-13H,4-9,15H2,1-3H3
InChIKeyQLVSFTWHXYUAHF-UHFFFAOYSA-N
XLogP0.84
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66117307) is N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is CCN1CCC(N(C)C(CN)c2cncn2C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is QLVSFTWHXYUAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-19-7-5-12(6-8-19)18(3)13(9-15)14-10-16-11-17(14)2/h10-13H,4-9,15H2,1-3H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66117307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).