4-methoxy-2,2,4-trimethylpentan-1-amine

C9H21NO — CID 131229444

IUPAC4-methoxy-2,2,4-trimethylpentan-1-amine
SMILESCOC(C)(C)CC(C)(C)CN
InChIInChI=1S/C9H21NO/c1-8(2,7-10)6-9(3,4)11-5/h6-7,10H2,1-5H3
InChIKeyUJZNCSYASBOGFW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds4

About 4-methoxy-2,2,4-trimethylpentan-1-amine

4-methoxy-2,2,4-trimethylpentan-1-amine (PubChem CID 131229444) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-methoxy-2,2,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2,4-trimethylpentan-1-amine
PubChem CID131229444
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-methoxy-2,2,4-trimethylpentan-1-amine
SMILESCOC(C)(C)CC(C)(C)CN
InChIInChI=1S/C9H21NO/c1-8(2,7-10)6-9(3,4)11-5/h6-7,10H2,1-5H3
InChIKeyUJZNCSYASBOGFW-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-2,2,4-trimethylpentan-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

6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine
CID 144805334
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
2,2-dimethylpropane-1,3-diamine
CID 162099967
2,2,4-trimethylpentane-1,4-diamine
CID 87112848
2-ethoxy-4-methoxy-2,4-dimethylpentan-1-amine
CID 66073410
1,1-diiodo-3,3-dimethylbutane-1,4-diamine
CID 88513715
ethane;2,2,4,4-tetramethylhexan-1-amine
CID 144955387
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418
N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667971
ethane;2,2,4-trimethyl-4-N-(2,4,4,6,6-pentamethyloctan-2-yl)pentane-1,4-diamine
CID 145086421
2,2,4-trimethylheptane-1,4-diamine
CID 175307929

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,4-trimethylpentan-1-amine?
The IUPAC name of 4-methoxy-2,2,4-trimethylpentan-1-amine (CID 131229444) is 4-methoxy-2,2,4-trimethylpentan-1-amine.
What is the SMILES notation for 4-methoxy-2,2,4-trimethylpentan-1-amine?
The canonical SMILES for 4-methoxy-2,2,4-trimethylpentan-1-amine is COC(C)(C)CC(C)(C)CN.
What is the InChIKey of 4-methoxy-2,2,4-trimethylpentan-1-amine?
The InChIKey is UJZNCSYASBOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2,7-10)6-9(3,4)11-5/h6-7,10H2,1-5H3.
What are the key properties of 4-methoxy-2,2,4-trimethylpentan-1-amine?
4-methoxy-2,2,4-trimethylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 131229444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).