2-(methoxymethyl)-N,2-dimethylheptan-1-amine

C11H25NO — CID 139927591

IUPAC2-(methoxymethyl)-N,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(CNC)COC
InChIInChI=1S/C11H25NO/c1-5-6-7-8-11(2,9-12-3)10-13-4/h12H,5-10H2,1-4H3
InChIKeyVYESIZGQQYLPBV-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About 2-(methoxymethyl)-N,2-dimethylheptan-1-amine

2-(methoxymethyl)-N,2-dimethylheptan-1-amine (PubChem CID 139927591) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,2-dimethylheptan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,2-dimethylheptan-1-amine
PubChem CID139927591
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(methoxymethyl)-N,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(CNC)COC
InChIInChI=1S/C11H25NO/c1-5-6-7-8-11(2,9-12-3)10-13-4/h12H,5-10H2,1-4H3
InChIKeyVYESIZGQQYLPBV-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

{[1-(Methoxymethyl)cyclobutyl]methyl}(methyl)amine
CID 97619087
[1-(Methoxymethyl)cyclohexyl]methanamine
CID 17951250
2-Methyl-2-(methylaminomethyl)undecan-1-ol
CID 54202096
4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine
CID 90959380
1-[1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984486
N-[[1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 103984488
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
1-[1-(ethoxymethyl)cyclopentyl]-N-methylmethanamine
CID 103984501
1-(1-(Methoxymethyl)cyclopentyl)-N-methylmethanamine
CID 103984502
2-(methoxymethyl)-N,2-dimethylpentan-1-amine
CID 103984518
N-ethyl-2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984520
2-ethyl-2-(methoxymethyl)-N-methylhexan-1-amine
CID 103984547

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N,2-dimethylheptan-1-amine?
The IUPAC name of 2-(methoxymethyl)-N,2-dimethylheptan-1-amine (CID 139927591) is 2-(methoxymethyl)-N,2-dimethylheptan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,2-dimethylheptan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-N,2-dimethylheptan-1-amine is CCCCCC(C)(CNC)COC.
What is the InChIKey of 2-(methoxymethyl)-N,2-dimethylheptan-1-amine?
The InChIKey is VYESIZGQQYLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-6-7-8-11(2,9-12-3)10-13-4/h12H,5-10H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-N,2-dimethylheptan-1-amine?
2-(methoxymethyl)-N,2-dimethylheptan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,2-dimethylheptan-1-amine is sourced from PubChem (CID 139927591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).