(4-tert-butyl-1-octoxycyclohexyl)methanamine

C19H39NO — CID 63475910

IUPAC(4-tert-butyl-1-octoxycyclohexyl)methanamine
SMILESCCCCCCCCOC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-15-21-19(16-20)13-11-17(12-14-19)18(2,3)4/h17H,5-16,20H2,1-4H3
InChIKeySTGQQQXGZRNFNQ-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.30
Rot. Bonds9

About (4-tert-butyl-1-octoxycyclohexyl)methanamine

(4-tert-butyl-1-octoxycyclohexyl)methanamine (PubChem CID 63475910) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is (4-tert-butyl-1-octoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-1-octoxycyclohexyl)methanamine
PubChem CID63475910
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name(4-tert-butyl-1-octoxycyclohexyl)methanamine
SMILESCCCCCCCCOC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-15-21-19(16-20)13-11-17(12-14-19)18(2,3)4/h17H,5-16,20H2,1-4H3
InChIKeySTGQQQXGZRNFNQ-UHFFFAOYSA-N
XLogP5.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-tert-butyl-1-(3-fluoropropoxy)cyclohexyl]methanamine
CID 81105509
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine
CID 115942105
1-(bromomethyl)-1-butoxy-4-tert-butylcyclohexane
CID 63468622
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
3-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]oxypropan-1-ol
CID 103377317
[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
CID 65052867
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771
methyl 3-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxypropanoate
CID 65052721
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
CID 62383311
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-octoxycyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-1-octoxycyclohexyl)methanamine (CID 63475910) is (4-tert-butyl-1-octoxycyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-1-octoxycyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-1-octoxycyclohexyl)methanamine is CCCCCCCCOC1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butyl-1-octoxycyclohexyl)methanamine?
The InChIKey is STGQQQXGZRNFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-6-7-8-9-10-15-21-19(16-20)13-11-17(12-14-19)18(2,3)4/h17H,5-16,20H2,1-4H3.
What are the key properties of (4-tert-butyl-1-octoxycyclohexyl)methanamine?
(4-tert-butyl-1-octoxycyclohexyl)methanamine has a molecular weight of 297.53 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-octoxycyclohexyl)methanamine is sourced from PubChem (CID 63475910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).