1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine

C13H29NO2 — CID 102928078

IUPAC1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine
SMILESCNC(CCOCCOC)CCC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-13(2,3)8-6-12(14-4)7-9-16-11-10-15-5/h12,14H,6-11H2,1-5H3
InChIKeyHVWXVHZJFTXEKV-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine

1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine (PubChem CID 102928078) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine
PubChem CID102928078
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine
SMILESCNC(CCOCCOC)CCC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-13(2,3)8-6-12(14-4)7-9-16-11-10-15-5/h12,14H,6-11H2,1-5H3
InChIKeyHVWXVHZJFTXEKV-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
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)-N,6,6-trimethylheptan-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

(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine
CID 97320972
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
1-(2,2-difluoroethoxy)-N,6,6-trimethylheptan-3-amine
CID 103149229
1-(2,2-difluoroethoxy)-N-ethyl-6,6-dimethylheptan-3-amine
CID 103149563
N,6,6-trimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 113780914
N-ethyl-6,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 113780931
1-(2,2-difluoroethoxy)-6,6-dimethyl-N-propylheptan-3-amine
CID 113781099
N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984491
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
2-(methoxymethyl)-N,2-dimethylheptan-1-amine
CID 139927591
N-methyl-1-(3-methyloxetan-3-yl)hexan-1-amine
CID 144233715
N,N'-dimethyl-1-(3-methyloxetan-3-yl)pentane-1,5-diamine;ethane
CID 144233945

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine (CID 102928078) is 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine is CNC(CCOCCOC)CCC(C)(C)C.
What is the InChIKey of 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine?
The InChIKey is HVWXVHZJFTXEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-13(2,3)8-6-12(14-4)7-9-16-11-10-15-5/h12,14H,6-11H2,1-5H3.
What are the key properties of 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine?
1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N,6,6-trimethylheptan-3-amine is sourced from PubChem (CID 102928078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).