7-ethoxy-4,4-dimethylheptan-2-amine

C11H25NO — CID 65177905

IUPAC7-ethoxy-4,4-dimethylheptan-2-amine
SMILESCCOCCCC(C)(C)CC(C)N
InChIInChI=1S/C11H25NO/c1-5-13-8-6-7-11(3,4)9-10(2)12/h10H,5-9,12H2,1-4H3
InChIKeyCVJWVESPGWKVEO-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds7

About 7-ethoxy-4,4-dimethylheptan-2-amine

7-ethoxy-4,4-dimethylheptan-2-amine (PubChem CID 65177905) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 7-ethoxy-4,4-dimethylheptan-2-amine.

Molecular Properties

Compound Name7-ethoxy-4,4-dimethylheptan-2-amine
PubChem CID65177905
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name7-ethoxy-4,4-dimethylheptan-2-amine
SMILESCCOCCCC(C)(C)CC(C)N
InChIInChI=1S/C11H25NO/c1-5-13-8-6-7-11(3,4)9-10(2)12/h10H,5-9,12H2,1-4H3
InChIKeyCVJWVESPGWKVEO-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-ethoxy-4,4-dimethylheptan-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

6-bromo-1-ethoxy-4,4-dimethylheptane
CID 65177799
1-ethoxy-4,4-dimethylhexane
CID 89037329
4,4-dimethyldodecan-2-amine
CID 64715723
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
4,4-dimethyl-5-propoxypentan-2-amine
CID 79570118
6-ethylsulfonyl-4,4-dimethylhexan-2-amine
CID 106732358
2-(aminomethyl)-2-(3-ethoxypropyl)-4-methylpentan-1-ol
CID 106507842
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
5-ethoxy-N,2-dimethylpentan-2-amine
CID 135220051
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
(2R,7S)-5,5,7-trimethylnonan-2-amine
CID 138642965

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4,4-dimethylheptan-2-amine?
The IUPAC name of 7-ethoxy-4,4-dimethylheptan-2-amine (CID 65177905) is 7-ethoxy-4,4-dimethylheptan-2-amine.
What is the SMILES notation for 7-ethoxy-4,4-dimethylheptan-2-amine?
The canonical SMILES for 7-ethoxy-4,4-dimethylheptan-2-amine is CCOCCCC(C)(C)CC(C)N.
What is the InChIKey of 7-ethoxy-4,4-dimethylheptan-2-amine?
The InChIKey is CVJWVESPGWKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-13-8-6-7-11(3,4)9-10(2)12/h10H,5-9,12H2,1-4H3.
What are the key properties of 7-ethoxy-4,4-dimethylheptan-2-amine?
7-ethoxy-4,4-dimethylheptan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4,4-dimethylheptan-2-amine is sourced from PubChem (CID 65177905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).