4-(methoxymethyl)-2-methylhexan-3-amine

C9H21NO — CID 79298395

IUPAC4-(methoxymethyl)-2-methylhexan-3-amine
SMILESCCC(COC)C(N)C(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-11-4)9(10)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyMEHSOPYXYVMAIP-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.64
Rot. Bonds5

About 4-(methoxymethyl)-2-methylhexan-3-amine

4-(methoxymethyl)-2-methylhexan-3-amine (PubChem CID 79298395) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methylhexan-3-amine
PubChem CID79298395
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-(methoxymethyl)-2-methylhexan-3-amine
SMILESCCC(COC)C(N)C(C)C
InChIInChI=1S/C9H21NO/c1-5-8(6-11-4)9(10)7(2)3/h7-9H,5-6,10H2,1-4H3
InChIKeyMEHSOPYXYVMAIP-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(methoxymethyl)-2-methylhexan-3-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

3-(methoxymethyl)pentan-2-amine
CID 66437856
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
ethane;3-(methoxymethyl)-2-methylpentane
CID 142448255
3,4-bis(methoxymethyl)hexane
CID 142709823
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
3-bromo-4-(methoxymethyl)-2-methylhexane
CID 79298879
5-ethyl-1-methoxy-2-methylheptan-4-amine
CID 105168463
(4R)-2,4-dimethylhexan-3-amine
CID 59252919
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
3-ethyl-5-methoxypentan-2-amine
CID 61000817
2,4-dimethylhexan-3-amine;ethane
CID 143534901

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methylhexan-3-amine?
The IUPAC name of 4-(methoxymethyl)-2-methylhexan-3-amine (CID 79298395) is 4-(methoxymethyl)-2-methylhexan-3-amine.
What is the SMILES notation for 4-(methoxymethyl)-2-methylhexan-3-amine?
The canonical SMILES for 4-(methoxymethyl)-2-methylhexan-3-amine is CCC(COC)C(N)C(C)C.
What is the InChIKey of 4-(methoxymethyl)-2-methylhexan-3-amine?
The InChIKey is MEHSOPYXYVMAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-8(6-11-4)9(10)7(2)3/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-2-methylhexan-3-amine?
4-(methoxymethyl)-2-methylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methylhexan-3-amine is sourced from PubChem (CID 79298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).