N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine

C18H37NO — CID 63490385

IUPACN-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
SMILESCCC(CNC(C)(C)C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C18H37NO/c1-8-15(12-19-18(5,6)7)20-17-11-14(4)9-10-16(17)13(2)3/h13-17,19H,8-12H2,1-7H3
InChIKeyPLFFOCWRKOSLHB-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.63
Rot. Bonds6

About N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine

N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine (PubChem CID 63490385) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
PubChem CID63490385
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
SMILESCCC(CNC(C)(C)C)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C18H37NO/c1-8-15(12-19-18(5,6)7)20-17-11-14(4)9-10-16(17)13(2)3/h13-17,19H,8-12H2,1-7H3
InChIKeyPLFFOCWRKOSLHB-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917
(Z)-but-2-enedioic acid;1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
CID 20840940
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
CID 143659959
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
tert-butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoate
CID 66339015
2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11899942
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The IUPAC name of N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine (CID 63490385) is N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine is CCC(CNC(C)(C)C)OC1CC(C)CCC1C(C)C.
What is the InChIKey of N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
The InChIKey is PLFFOCWRKOSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-8-15(12-19-18(5,6)7)20-17-11-14(4)9-10-16(17)13(2)3/h13-17,19H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine?
N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 63490385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).