[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine

C17H35NO — CID 65052671

IUPAC[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
SMILESCCCC(C)COC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-7-14(2)12-19-17(13-18)10-8-15(9-11-17)16(3,4)5/h14-15H,6-13,18H2,1-5H3
InChIKeyWHKODIGCHYWWRE-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.37
Rot. Bonds6

About [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine

[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine (PubChem CID 65052671) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
PubChem CID65052671
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
SMILESCCCC(C)COC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-7-14(2)12-19-17(13-18)10-8-15(9-11-17)16(3,4)5/h14-15H,6-13,18H2,1-5H3
InChIKeyWHKODIGCHYWWRE-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
CID 65052867
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
[4-(2-methylpentoxy)oxan-4-yl]methanamine
CID 65051545
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
[4-tert-butyl-1-(3-fluoropropoxy)cyclohexyl]methanamine
CID 81105509
[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine
CID 115942105
1-(iodomethyl)-1-(2-methylpentoxy)-4-propan-2-ylcyclohexane
CID 103285102
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
CID 62383311
1-(bromomethyl)-4-ethyl-1-(2-methylpentoxy)cyclohexane
CID 103285066
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
4-tert-butyl-1-(2-ethylhexoxy)-1-(iodomethyl)cyclohexane
CID 114773371

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine (CID 65052671) is [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine is CCCC(C)COC1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine?
The InChIKey is WHKODIGCHYWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-7-14(2)12-19-17(13-18)10-8-15(9-11-17)16(3,4)5/h14-15H,6-13,18H2,1-5H3.
What are the key properties of [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine?
[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine has a molecular weight of 269.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).