3-(methoxymethyl)-N,2-dimethylheptan-4-amine

C11H25NO — CID 83048527

IUPAC3-(methoxymethyl)-N,2-dimethylheptan-4-amine
SMILESCCCC(NC)C(COC)C(C)C
InChIInChI=1S/C11H25NO/c1-6-7-11(12-4)10(8-13-5)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyAXIAEJRCSVBFDK-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.29
Rot. Bonds7

About 3-(methoxymethyl)-N,2-dimethylheptan-4-amine

3-(methoxymethyl)-N,2-dimethylheptan-4-amine (PubChem CID 83048527) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-N,2-dimethylheptan-4-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N,2-dimethylheptan-4-amine
PubChem CID83048527
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-(methoxymethyl)-N,2-dimethylheptan-4-amine
SMILESCCCC(NC)C(COC)C(C)C
InChIInChI=1S/C11H25NO/c1-6-7-11(12-4)10(8-13-5)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyAXIAEJRCSVBFDK-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,2-dimethylheptan-4-amine
CID 116719993
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
2-ethoxy-N-methylhexan-3-amine
CID 64534795
N,3-dimethyl-1-pentan-2-yloxybutan-2-amine
CID 102981288
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
N,5,8-trimethylnonan-4-amine
CID 83047737
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N,3-dimethylpentan-2-amine
CID 104560546
1-[2-(2-methoxyethoxy)ethoxy]-N,3-dimethylpentan-2-amine
CID 104560721
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N,2-dimethylheptan-4-amine?
The IUPAC name of 3-(methoxymethyl)-N,2-dimethylheptan-4-amine (CID 83048527) is 3-(methoxymethyl)-N,2-dimethylheptan-4-amine.
What is the SMILES notation for 3-(methoxymethyl)-N,2-dimethylheptan-4-amine?
The canonical SMILES for 3-(methoxymethyl)-N,2-dimethylheptan-4-amine is CCCC(NC)C(COC)C(C)C.
What is the InChIKey of 3-(methoxymethyl)-N,2-dimethylheptan-4-amine?
The InChIKey is AXIAEJRCSVBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-11(12-4)10(8-13-5)9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of 3-(methoxymethyl)-N,2-dimethylheptan-4-amine?
3-(methoxymethyl)-N,2-dimethylheptan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N,2-dimethylheptan-4-amine is sourced from PubChem (CID 83048527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).