N-(2,2-diethoxyethyl)-4-methylhexan-2-amine

C13H29NO2 — CID 81094934

IUPACN-(2,2-diethoxyethyl)-4-methylhexan-2-amine
SMILESCCOC(CNC(C)CC(C)CC)OCC
InChIInChI=1S/C13H29NO2/c1-6-11(4)9-12(5)14-10-13(15-7-2)16-8-3/h11-14H,6-10H2,1-5H3
InChIKeyAZLPMDONDCGGEM-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.80
Rot. Bonds10

About N-(2,2-diethoxyethyl)-4-methylhexan-2-amine

N-(2,2-diethoxyethyl)-4-methylhexan-2-amine (PubChem CID 81094934) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-4-methylhexan-2-amine
PubChem CID81094934
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-(2,2-diethoxyethyl)-4-methylhexan-2-amine
SMILESCCOC(CNC(C)CC(C)CC)OCC
InChIInChI=1S/C13H29NO2/c1-6-11(4)9-12(5)14-10-13(15-7-2)16-8-3/h11-14H,6-10H2,1-5H3
InChIKeyAZLPMDONDCGGEM-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-diethoxyethyl)-4-methylhexan-2-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

(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine
CID 97048981
N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine
CID 79547510
2-(2,2-diethoxyethylamino)butan-1-ol
CID 81093420
N-(2,2-diethoxyethyl)hexan-3-amine
CID 81094919
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
CID 79547595
4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine
CID 106547240
N-(2,2-diethoxyethyl)-1-(3-methoxyphenyl)propan-2-amine
CID 12516811
N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
2,2-diethoxy-N-(2-methylpropoxy)ethanamine
CID 82714948

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-4-methylhexan-2-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-4-methylhexan-2-amine (CID 81094934) is N-(2,2-diethoxyethyl)-4-methylhexan-2-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-4-methylhexan-2-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-4-methylhexan-2-amine is CCOC(CNC(C)CC(C)CC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-4-methylhexan-2-amine?
The InChIKey is AZLPMDONDCGGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-11(4)9-12(5)14-10-13(15-7-2)16-8-3/h11-14H,6-10H2,1-5H3.
What are the key properties of N-(2,2-diethoxyethyl)-4-methylhexan-2-amine?
N-(2,2-diethoxyethyl)-4-methylhexan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-4-methylhexan-2-amine is sourced from PubChem (CID 81094934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).