N-ethyl-4-methoxy-4-methylpentan-2-amine

C9H21NO — CID 43146951

IUPACN-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)OC
InChIInChI=1S/C9H21NO/c1-6-10-8(2)7-9(3,4)11-5/h8,10H,6-7H2,1-5H3
InChIKeyCNCCZQHVOOYLBQ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds5

About N-ethyl-4-methoxy-4-methylpentan-2-amine

N-ethyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 43146951) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methylpentan-2-amine
PubChem CID43146951
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)OC
InChIInChI=1S/C9H21NO/c1-6-10-8(2)7-9(3,4)11-5/h8,10H,6-7H2,1-5H3
InChIKeyCNCCZQHVOOYLBQ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-methoxy-4-methylpentan-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

4-Methoxy-4-methylpentan-2-amine
CID 22273175
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
CID 81343377
4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
CID 103529315
N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210358
1,1,1-trifluoro-4-methoxy-N,4-dimethylpentan-2-amine
CID 106676423
N-ethyl-1,1,1-trifluoro-4-methoxy-4-methylpentan-2-amine
CID 106676424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methylpentan-2-amine (CID 43146951) is N-ethyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methylpentan-2-amine is CCNC(C)CC(C)(C)OC.
What is the InChIKey of N-ethyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is CNCCZQHVOOYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-10-8(2)7-9(3,4)11-5/h8,10H,6-7H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-4-methylpentan-2-amine?
N-ethyl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 43146951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).