1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine

C18H39NO2 — CID 89103507

IUPAC1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine
SMILESCCC(C)(N)C(C)COC(C)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C18H39NO2/c1-10-18(9,19)14(2)13-20-15(3)17(7,8)11-12-21-16(4,5)6/h14-15H,10-13,19H2,1-9H3
InChIKeyAABJEXHSUOOTBE-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.39
Rot. Bonds9

About 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine

1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine (PubChem CID 89103507) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine
PubChem CID89103507
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine
SMILESCCC(C)(N)C(C)COC(C)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C18H39NO2/c1-10-18(9,19)14(2)13-20-15(3)17(7,8)11-12-21-16(4,5)6/h14-15H,10-13,19H2,1-9H3
InChIKeyAABJEXHSUOOTBE-UHFFFAOYSA-N
XLogP4.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine with MolForge

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Related Compounds

4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 131965733
2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
CID 89018610
2,3-dimethylpentane-1,3-diamine
CID 141278294
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
2,2-diethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591457
azane;3-methylpentane-2,3-diamine
CID 174323665
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol
CID 57304463
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine?
The IUPAC name of 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine (CID 89103507) is 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine.
What is the SMILES notation for 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine?
The canonical SMILES for 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine is CCC(C)(N)C(C)COC(C)C(C)(C)CCOC(C)(C)C.
What is the InChIKey of 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine?
The InChIKey is AABJEXHSUOOTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-10-18(9,19)14(2)13-20-15(3)17(7,8)11-12-21-16(4,5)6/h14-15H,10-13,19H2,1-9H3.
What are the key properties of 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine?
1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine has a molecular weight of 301.52 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine is sourced from PubChem (CID 89103507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).