4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine

C12H27NO2 — CID 106665316

IUPAC4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)OCCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-10(13-5)9-11(2)15-8-7-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyNOHBUKOONLFLBI-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.20
Rot. Bonds8

About 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine

4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine (PubChem CID 106665316) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
PubChem CID106665316
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)OCCC(C)(C)OC
InChIInChI=1S/C12H27NO2/c1-10(13-5)9-11(2)15-8-7-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyNOHBUKOONLFLBI-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxy-3-methylbutoxy)-N-methylbutan-2-amine
CID 106665253
N-methyl-4-propoxypentan-2-amine
CID 64721571
N-methyl-4-(3-methylbutoxy)pentan-2-amine
CID 64708505
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 106668524
4-(3-methoxy-3-methylbutoxy)pentan-1-amine
CID 106667811
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
2-(3-methoxy-3-methylbutoxy)propanenitrile
CID 106665690
N-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 106668147
3-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421308
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691
4-(cyclopropylmethoxy)-N-methylpentan-2-amine
CID 64708927
N-ethyl-4-(2-methoxyethoxy)pentan-2-amine
CID 64708312

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine (CID 106665316) is 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine is CNC(C)CC(C)OCCC(C)(C)OC.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine?
The InChIKey is NOHBUKOONLFLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(13-5)9-11(2)15-8-7-12(3,4)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine?
4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine is sourced from PubChem (CID 106665316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).