1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

C16H29N3 — CID 106574917

IUPAC1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCCC1CCCC(n2cc(C)nc2NCC(C)C)C1
InChIInChI=1S/C16H29N3/c1-5-14-7-6-8-15(9-14)19-11-13(4)18-16(19)17-10-12(2)3/h11-12,14-15H,5-10H2,1-4H3,(H,17,18)
InChIKeyKLRCZKDCZLLCFA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106574917) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106574917
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCCC1CCCC(n2cc(C)nc2NCC(C)C)C1
InChIInChI=1S/C16H29N3/c1-5-14-7-6-8-15(9-14)19-11-13(4)18-16(19)17-10-12(2)3/h11-12,14-15H,5-10H2,1-4H3,(H,17,18)
InChIKeyKLRCZKDCZLLCFA-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106574917) is 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is CCC1CCCC(n2cc(C)nc2NCC(C)C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is KLRCZKDCZLLCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-14-7-6-8-15(9-14)19-11-13(4)18-16(19)17-10-12(2)3/h11-12,14-15H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106574917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).