4-methoxy-2,4-dimethylhexan-3-amine

C9H21NO — CID 116757401

IUPAC4-methoxy-2,4-dimethylhexan-3-amine
SMILESCCC(C)(OC)C(N)C(C)C
InChIInChI=1S/C9H21NO/c1-6-9(4,11-5)8(10)7(2)3/h7-8H,6,10H2,1-5H3
InChIKeyDCOAEPQPEANIOV-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.78
Rot. Bonds4

About 4-methoxy-2,4-dimethylhexan-3-amine

4-methoxy-2,4-dimethylhexan-3-amine (PubChem CID 116757401) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-methoxy-2,4-dimethylhexan-3-amine
PubChem CID116757401
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-methoxy-2,4-dimethylhexan-3-amine
SMILESCCC(C)(OC)C(N)C(C)C
InChIInChI=1S/C9H21NO/c1-6-9(4,11-5)8(10)7(2)3/h7-8H,6,10H2,1-5H3
InChIKeyDCOAEPQPEANIOV-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-methylpentan-2-amine
CID 116757359
4-methoxy-2,2,4-trimethylhexan-3-amine
CID 116757511
3-methoxy-3-methyl-1-propan-2-yloxypentan-2-amine
CID 116757416
3-methoxy-3-methyltetradecan-4-amine
CID 116757437
2-amino-3-methoxy-3-methylpentanamide
CID 131230246
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
3-methoxy-3-methylpentane-1,4-diamine
CID 87439375
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
2-methoxy-2-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 116757406
2-methoxy-2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116757449
(3-methoxy-3-methylnon-7-yn-4-yl)hydrazine
CID 105274497
2-chloro-3-methoxy-3-methylpentanenitrile
CID 130655769

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethylhexan-3-amine?
The IUPAC name of 4-methoxy-2,4-dimethylhexan-3-amine (CID 116757401) is 4-methoxy-2,4-dimethylhexan-3-amine.
What is the SMILES notation for 4-methoxy-2,4-dimethylhexan-3-amine?
The canonical SMILES for 4-methoxy-2,4-dimethylhexan-3-amine is CCC(C)(OC)C(N)C(C)C.
What is the InChIKey of 4-methoxy-2,4-dimethylhexan-3-amine?
The InChIKey is DCOAEPQPEANIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-9(4,11-5)8(10)7(2)3/h7-8H,6,10H2,1-5H3.
What are the key properties of 4-methoxy-2,4-dimethylhexan-3-amine?
4-methoxy-2,4-dimethylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethylhexan-3-amine is sourced from PubChem (CID 116757401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).