2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine

C17H29N3O — CID 63739139

IUPAC2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C2CCCCC2)nc(C2CCCOC2)c1N
InChIInChI=1S/C17H29N3O/c1-2-10-20-16(18)15(14-9-6-11-21-12-14)19-17(20)13-7-4-3-5-8-13/h13-14H,2-12,18H2,1H3
InChIKeyBDDPZTAPYKHJID-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.82
Rot. Bonds4

About 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine

2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine (PubChem CID 63739139) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine
PubChem CID63739139
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C2CCCCC2)nc(C2CCCOC2)c1N
InChIInChI=1S/C17H29N3O/c1-2-10-20-16(18)15(14-9-6-11-21-12-14)19-17(20)13-7-4-3-5-8-13/h13-14H,2-12,18H2,1H3
InChIKeyBDDPZTAPYKHJID-UHFFFAOYSA-N
XLogP3.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
CID 63739138
5-cyclopentyl-2-cyclopropyl-3-propylimidazol-4-amine
CID 55049023
2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine
CID 63737028
3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
CID 63737711
2-cyclohexyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 55048700
5-cyclohexyl-2-cyclopentyl-3-(2-methylpropyl)imidazol-4-amine
CID 63467846
2-cyclopentyl-3-methyl-5-(oxan-4-yl)imidazol-4-amine
CID 62385208
2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
CID 63737210
3-(oxan-3-yl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 115389937
2,5-dicyclohexyl-3-prop-2-ynylimidazol-4-amine
CID 62222440
4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 63737207
5-cyclohexyl-2-cyclopropyl-3-prop-2-ynylimidazol-4-amine
CID 62218974

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine?
The IUPAC name of 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine (CID 63739139) is 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine is CCCn1c(C2CCCCC2)nc(C2CCCOC2)c1N.
What is the InChIKey of 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine?
The InChIKey is BDDPZTAPYKHJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-10-20-16(18)15(14-9-6-11-21-12-14)19-17(20)13-7-4-3-5-8-13/h13-14H,2-12,18H2,1H3.
What are the key properties of 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine?
2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine is sourced from PubChem (CID 63739139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).