5-methyl-1-(2-methylpropoxy)hexan-3-amine

C11H25NO — CID 106459216

IUPAC5-methyl-1-(2-methylpropoxy)hexan-3-amine
SMILESCC(C)COCCC(N)CC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)7-11(12)5-6-13-8-10(3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyPCZCHWZWEBSWLG-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds7

About 5-methyl-1-(2-methylpropoxy)hexan-3-amine

5-methyl-1-(2-methylpropoxy)hexan-3-amine (PubChem CID 106459216) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropoxy)hexan-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropoxy)hexan-3-amine
PubChem CID106459216
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-methyl-1-(2-methylpropoxy)hexan-3-amine
SMILESCC(C)COCCC(N)CC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)7-11(12)5-6-13-8-10(3)4/h9-11H,5-8,12H2,1-4H3
InChIKeyPCZCHWZWEBSWLG-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexyl 3-aminopropyl ether
CID 21499
(2R)-1-ethoxy-4-methylpentan-2-amine
CID 57790395
3-[(4-Methylpentyl)oxy]propan-1-amine
CID 110352
1-(Difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
CID 170585146
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine
CID 177282055
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
1-(Oxan-4-yl)propan-1-amine
CID 56828166
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62602777
4-Ethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 103148117
1-(2,2-Difluoroethoxy)-5-methylhexan-3-amine
CID 103148808

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropoxy)hexan-3-amine?
The IUPAC name of 5-methyl-1-(2-methylpropoxy)hexan-3-amine (CID 106459216) is 5-methyl-1-(2-methylpropoxy)hexan-3-amine.
What is the SMILES notation for 5-methyl-1-(2-methylpropoxy)hexan-3-amine?
The canonical SMILES for 5-methyl-1-(2-methylpropoxy)hexan-3-amine is CC(C)COCCC(N)CC(C)C.
What is the InChIKey of 5-methyl-1-(2-methylpropoxy)hexan-3-amine?
The InChIKey is PCZCHWZWEBSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)7-11(12)5-6-13-8-10(3)4/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 5-methyl-1-(2-methylpropoxy)hexan-3-amine?
5-methyl-1-(2-methylpropoxy)hexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropoxy)hexan-3-amine is sourced from PubChem (CID 106459216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).