5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine

C11H25NO — CID 112592208

IUPAC5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine
SMILESCC(C)CC(N)CCOC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)8-10(12)6-7-13-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyCTNRSVPREAEOGW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds5

About 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine

5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine (PubChem CID 112592208) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine
PubChem CID112592208
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine
SMILESCC(C)CC(N)CCOC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)8-10(12)6-7-13-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyCTNRSVPREAEOGW-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-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-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590457
5-methyl-1-(2-methylpropoxy)hexan-3-amine
CID 106459216
(3R)-1-cyclopropyloxy-5-methylhexan-3-amine
CID 177282057
(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 154621422
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422
1-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 112590452
1,1-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]butane
CID 175617770
5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine
CID 178166469
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
6-methyl-1-propoxyheptan-4-amine
CID 106454535
2-(3-methylbutoxy)butan-2-amine
CID 176953255

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine?
The IUPAC name of 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine (CID 112592208) is 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine.
What is the SMILES notation for 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine?
The canonical SMILES for 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine is CC(C)CC(N)CCOC(C)(C)C.
What is the InChIKey of 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine?
The InChIKey is CTNRSVPREAEOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)8-10(12)6-7-13-11(3,4)5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine?
5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-3-amine is sourced from PubChem (CID 112592208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).