1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine

C12H27NO2 — CID 102927818

IUPAC1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine
SMILESCOCCOCCC(N)CCC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-12(2,3)7-5-11(13)6-8-15-10-9-14-4/h11H,5-10,13H2,1-4H3
InChIKeyOVGSZWWIKHJSEX-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.19
Rot. Bonds8

About 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine

1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine (PubChem CID 102927818) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine
PubChem CID102927818
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine
SMILESCOCCOCCC(N)CCC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-12(2,3)7-5-11(13)6-8-15-10-9-14-4/h11H,5-10,13H2,1-4H3
InChIKeyOVGSZWWIKHJSEX-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tert-butyloxan-4-amine
CID 64105126
10-Ethoxy-9,9-dimethyldecan-1-amine
CID 3085386
6,6-Dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148022
1-(2,2-Difluoroethoxy)-6,6-dimethylheptan-3-amine
CID 103148892
1-Ethoxy-8,8-dimethylnonan-4-amine
CID 138394341
3-(2-Methoxyethoxymethyl)-3,5,5-trimethylcyclohexan-1-amine
CID 20692147
1-(3-Methyloxetan-3-yl)hexan-1-amine
CID 68253168
(2R,4S)-2-tert-butyloxan-4-amine
CID 95335740
2-(Methoxymethyl)-2-methylheptan-1-amine
CID 139927613
5-(2-Methoxyethoxymethyl)-3,3,5-trimethylcycloheptan-1-amine
CID 141953642
5-(2-Methyl-1,4-dioxan-2-yl)pentane-1,4-diamine
CID 174925244
7-Methoxy-2,2-dimethylheptan-3-amine
CID 60926793

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine (CID 102927818) is 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine is COCCOCCC(N)CCC(C)(C)C.
What is the InChIKey of 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine?
The InChIKey is OVGSZWWIKHJSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-12(2,3)7-5-11(13)6-8-15-10-9-14-4/h11H,5-10,13H2,1-4H3.
What are the key properties of 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine?
1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine has a molecular weight of 217.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-6,6-dimethylheptan-3-amine is sourced from PubChem (CID 102927818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).