5-methoxy-4,4-dimethylpentan-1-amine

C8H19NO — CID 94975411

IUPAC5-methoxy-4,4-dimethylpentan-1-amine
SMILESCOCC(C)(C)CCCN
InChIInChI=1S/C8H19NO/c1-8(2,7-10-3)5-4-6-9/h4-7,9H2,1-3H3
InChIKeyPYACPPVHYJOELF-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds5

About 5-methoxy-4,4-dimethylpentan-1-amine

5-methoxy-4,4-dimethylpentan-1-amine (PubChem CID 94975411) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-methoxy-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-methoxy-4,4-dimethylpentan-1-amine
PubChem CID94975411
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name5-methoxy-4,4-dimethylpentan-1-amine
SMILESCOCC(C)(C)CCCN
InChIInChI=1S/C8H19NO/c1-8(2,7-10-3)5-4-6-9/h4-7,9H2,1-3H3
InChIKeyPYACPPVHYJOELF-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-4,4-dimethylpentan-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

5-Amino-2,2-dimethylpentanol
CID 139489
5-Methoxy-2,2-dimethylpentan-1-amine
CID 62739417
1-Methoxy-4,4-dimethylpentan-3-amine
CID 62394673
2-(4-Methyloxan-4-yl)ethan-1-amine
CID 83815188
1-[1-(Methoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055112
2,2-Dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62740828
5-(2,2-Difluoroethoxy)-2,2-dimethylpentan-1-amine
CID 82004327
2,2-Dimethyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82789398
2,2-Dimethyl-5-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82955014
4-Fluoro-4-(methoxymethyl)hexan-1-amine
CID 103392395
4-Fluoro-5-methoxy-4-methylpentan-1-amine
CID 103392512
4-Fluoro-5-methoxy-4-(methoxymethyl)pentan-1-amine
CID 103392535

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4,4-dimethylpentan-1-amine?
The IUPAC name of 5-methoxy-4,4-dimethylpentan-1-amine (CID 94975411) is 5-methoxy-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 5-methoxy-4,4-dimethylpentan-1-amine?
The canonical SMILES for 5-methoxy-4,4-dimethylpentan-1-amine is COCC(C)(C)CCCN.
What is the InChIKey of 5-methoxy-4,4-dimethylpentan-1-amine?
The InChIKey is PYACPPVHYJOELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,7-10-3)5-4-6-9/h4-7,9H2,1-3H3.
What are the key properties of 5-methoxy-4,4-dimethylpentan-1-amine?
5-methoxy-4,4-dimethylpentan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 94975411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).