3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine

C16H26N2 — CID 116937320

IUPAC3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)(C)C)cc1C(N)C1CC(N)C1
InChIInChI=1S/C16H26N2/c1-10-5-6-12(16(2,3)4)9-14(10)15(18)11-7-13(17)8-11/h5-6,9,11,13,15H,7-8,17-18H2,1-4H3
InChIKeyOQEPFYPVTNYBOC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds2

About 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine

3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116937320) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID116937320
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C(C)(C)C)cc1C(N)C1CC(N)C1
InChIInChI=1S/C16H26N2/c1-10-5-6-12(16(2,3)4)9-14(10)15(18)11-7-13(17)8-11/h5-6,9,11,13,15H,7-8,17-18H2,1-4H3
InChIKeyOQEPFYPVTNYBOC-UHFFFAOYSA-N
XLogP3.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-2-methylphenyl)-cyclobutylmethanamine
CID 82289393
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
4-[amino-(5-bromo-2-methylphenyl)methyl]cyclohexan-1-amine
CID 116937185
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 82045643
(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680940
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
3-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214407
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
CID 83935321
[3-[(R)-amino(cyclopropyl)methyl]-4-methylphenyl]methanol
CID 130665283

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine (CID 116937320) is 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine is Cc1ccc(C(C)(C)C)cc1C(N)C1CC(N)C1.
What is the InChIKey of 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is OQEPFYPVTNYBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-10-5-6-12(16(2,3)4)9-14(10)15(18)11-7-13(17)8-11/h5-6,9,11,13,15H,7-8,17-18H2,1-4H3.
What are the key properties of 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine?
3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).