4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine

C16H29N3 — CID 81014963

IUPAC4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine
SMILESCCCn1ccnc1C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C16H29N3/c1-5-9-19-10-8-18-15(19)13-11-12(16(2,3)4)6-7-14(13)17/h8,10,12-14H,5-7,9,11,17H2,1-4H3
InChIKeyMANZBXMJQNJTPF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.55
Rot. Bonds3

About 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine

4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine (PubChem CID 81014963) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine
PubChem CID81014963
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine
SMILESCCCn1ccnc1C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C16H29N3/c1-5-9-19-10-8-18-15(19)13-11-12(16(2,3)4)6-7-14(13)17/h8,10,12-14H,5-7,9,11,17H2,1-4H3
InChIKeyMANZBXMJQNJTPF-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine (CID 81014963) is 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine is CCCn1ccnc1C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is MANZBXMJQNJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-9-19-10-8-18-15(19)13-11-12(16(2,3)4)6-7-14(13)17/h8,10,12-14H,5-7,9,11,17H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine?
4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1-propylimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 81014963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).