4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine

C16H29N3 — CID 168724950

IUPAC4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(c2ncc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C16H29N3/c1-11(2)18-13-8-6-12(7-9-13)15-17-10-14(19-15)16(3,4)5/h10-13,18H,6-9H2,1-5H3,(H,17,19)
InChIKeyIPCSBQKRJSZOPA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.73
Rot. Bonds3

About 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine

4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 168724950) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID168724950
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)NC1CCC(c2ncc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C16H29N3/c1-11(2)18-13-8-6-12(7-9-13)15-17-10-14(19-15)16(3,4)5/h10-13,18H,6-9H2,1-5H3,(H,17,19)
InChIKeyIPCSBQKRJSZOPA-UHFFFAOYSA-N
XLogP3.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine (CID 168724950) is 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine is CC(C)NC1CCC(c2ncc(C(C)(C)C)[nH]2)CC1.
What is the InChIKey of 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is IPCSBQKRJSZOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11(2)18-13-8-6-12(7-9-13)15-17-10-14(19-15)16(3,4)5/h10-13,18H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine?
4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 168724950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).