4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine

C14H29NO2 — CID 103036106

IUPAC4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1(OC)CCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2,16-3)11-8-12(15)14(17-4)9-6-5-7-10-14/h12H,5-11,15H2,1-4H3
InChIKeyRETPPWQCUGWAJN-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.87
Rot. Bonds6

About 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine

4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine (PubChem CID 103036106) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine
PubChem CID103036106
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)C1(OC)CCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2,16-3)11-8-12(15)14(17-4)9-6-5-7-10-14/h12H,5-11,15H2,1-4H3
InChIKeyRETPPWQCUGWAJN-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol
CID 103035594
4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine
CID 103032089
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103036117
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
1-(1-methoxycycloheptyl)hex-5-yn-1-amine
CID 116769884
1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
CID 104610727
[4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentyl]hydrazine
CID 103026538
4,4,4-trifluoro-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 116766176

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine (CID 103036106) is 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine is COC(C)(C)CCC(N)C1(OC)CCCCC1.
What is the InChIKey of 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine?
The InChIKey is RETPPWQCUGWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,16-3)11-8-12(15)14(17-4)9-6-5-7-10-14/h12H,5-11,15H2,1-4H3.
What are the key properties of 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine?
4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine is sourced from PubChem (CID 103036106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).