N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine

C18H26N4 — CID 77092740

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine
SMILESCCn1ccnc1CN(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C18H26N4/c1-2-21-13-12-20-18(21)15-22(17-9-4-3-5-10-17)14-16-8-6-7-11-19-16/h6-8,11-13,17H,2-5,9-10,14-15H2,1H3
InChIKeyRNMOITXQPMRKOW-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.63
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine (PubChem CID 77092740) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine
PubChem CID77092740
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine
SMILESCCn1ccnc1CN(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C18H26N4/c1-2-21-13-12-20-18(21)15-22(17-9-4-3-5-10-17)14-16-8-6-7-11-19-16/h6-8,11-13,17H,2-5,9-10,14-15H2,1H3
InChIKeyRNMOITXQPMRKOW-UHFFFAOYSA-N
XLogP3.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine (CID 77092740) is N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine is CCn1ccnc1CN(Cc1ccccn1)C1CCCCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine?
The InChIKey is RNMOITXQPMRKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-2-21-13-12-20-18(21)15-22(17-9-4-3-5-10-17)14-16-8-6-7-11-19-16/h6-8,11-13,17H,2-5,9-10,14-15H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine has a molecular weight of 298.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine is sourced from PubChem (CID 77092740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).