N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine

C15H33NO2 — CID 103179208

IUPACN-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCCOCCCOC
InChIInChI=1S/C15H33NO2/c1-5-6-7-9-15(2,3)14-16-10-13-18-12-8-11-17-4/h16H,5-14H2,1-4H3
InChIKeyXZVPOKQBVHGHSM-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.24
Rot. Bonds13

About N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine

N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine (PubChem CID 103179208) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
PubChem CID103179208
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
SMILESCCCCCC(C)(C)CNCCOCCCOC
InChIInChI=1S/C15H33NO2/c1-5-6-7-9-15(2,3)14-16-10-13-18-12-8-11-17-4/h16H,5-14H2,1-4H3
InChIKeyXZVPOKQBVHGHSM-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-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

2,2-dimethyl-N-(2-propoxyethyl)heptan-1-amine
CID 106452237
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
4-chloro-N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylbutan-1-amine
CID 106140042
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
CID 103406228
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine (CID 103179208) is N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine is CCCCCC(C)(C)CNCCOCCCOC.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine?
The InChIKey is XZVPOKQBVHGHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-6-7-9-15(2,3)14-16-10-13-18-12-8-11-17-4/h16H,5-14H2,1-4H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine?
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.24, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine is sourced from PubChem (CID 103179208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).