1,3-dimethoxy-N,4,4-trimethylpentan-2-amine

C10H23NO2 — CID 116724510

IUPAC1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(COC)C(OC)C(C)(C)C
InChIInChI=1S/C10H23NO2/c1-10(2,3)9(13-6)8(11-4)7-12-5/h8-9,11H,7H2,1-6H3
InChIKeyQDJCLEODSIQGQE-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.28
Rot. Bonds5

About 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine

1,3-dimethoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 116724510) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
PubChem CID116724510
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(COC)C(OC)C(C)(C)C
InChIInChI=1S/C10H23NO2/c1-10(2,3)9(13-6)8(11-4)7-12-5/h8-9,11H,7H2,1-6H3
InChIKeyQDJCLEODSIQGQE-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
(2R)-1-methoxy-N,4-dimethylpentan-2-amine
CID 59640405
1-methoxy-N,4,4-trimethylpentan-2-amine
CID 79574631
2-methoxy-N,4-dimethylhexan-3-amine
CID 79616095
(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
CID 89339327
4-methoxy-N,2,5-trimethylhexan-3-amine
CID 116720030
(2S)-1,4-dimethoxy-N,4-dimethylpentan-2-amine
CID 117730333
(2S)-N,4-dimethyl-1-propan-2-yloxypentan-2-amine
CID 122693959
(1S)-N,2,2-trimethyl-1-[(2S)-3-methyloxiran-2-yl]propan-1-amine
CID 129046180
(1S)-N,2,2-trimethyl-1-(3-methyloxiran-2-yl)propan-1-amine
CID 129074028
1-methoxy-N,2,4,4-tetramethylpentan-2-amine
CID 134290101

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine (CID 116724510) is 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine is CNC(COC)C(OC)C(C)(C)C.
What is the InChIKey of 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is QDJCLEODSIQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-10(2,3)9(13-6)8(11-4)7-12-5/h8-9,11H,7H2,1-6H3.
What are the key properties of 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine?
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116724510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).