N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine

C16H29N3O — CID 106574347

IUPACN-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCC1CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-13-5-4-6-15(11-13)7-9-19-10-8-17-16(19)18-14(2)12-20-3/h8,10,13-15H,4-7,9,11-12H2,1-3H3,(H,17,18)
InChIKeyURNHKMYFTKWDMM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.55
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine (PubChem CID 106574347) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
PubChem CID106574347
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CCC1CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-13-5-4-6-15(11-13)7-9-19-10-8-17-16(19)18-14(2)12-20-3/h8,10,13-15H,4-7,9,11-12H2,1-3H3,(H,17,18)
InChIKeyURNHKMYFTKWDMM-UHFFFAOYSA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine (CID 106574347) is N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine is COCC(C)Nc1nccn1CCC1CCCC(C)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
The InChIKey is URNHKMYFTKWDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-5-4-6-15(11-13)7-9-19-10-8-17-16(19)18-14(2)12-20-3/h8,10,13-15H,4-7,9,11-12H2,1-3H3,(H,17,18).
What are the key properties of N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106574347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).