1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine

C14H29NO3 — CID 103036117

IUPAC1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCCOC1(C(N)CCC(C)(C)OC)CCOCC1
InChIInChI=1S/C14H29NO3/c1-5-18-14(8-10-17-11-9-14)12(15)6-7-13(2,3)16-4/h12H,5-11,15H2,1-4H3
InChIKeyKKDLMHVQWXJWEA-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.10
Rot. Bonds7

About 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine

1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103036117) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103036117
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCCOC1(C(N)CCC(C)(C)OC)CCOCC1
InChIInChI=1S/C14H29NO3/c1-5-18-14(8-10-17-11-9-14)12(15)6-7-13(2,3)16-4/h12H,5-11,15H2,1-4H3
InChIKeyKKDLMHVQWXJWEA-UHFFFAOYSA-N
XLogP2.10
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine
CID 103036106
N-ethyl-4-methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-amine
CID 103036115
4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 103036116
1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine
CID 116765527
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604
1-(4-ethoxyoxan-4-yl)-2-propoxyethanamine
CID 116765540
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
CID 107896923
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437
4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine
CID 103032089
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine (CID 103036117) is 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine is CCOC1(C(N)CCC(C)(C)OC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is KKDLMHVQWXJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-18-14(8-10-17-11-9-14)12(15)6-7-13(2,3)16-4/h12H,5-11,15H2,1-4H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine?
1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103036117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).