4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine

C17H38N2O2 — CID 131965733

IUPAC4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
SMILESCC(COC(C)(C)C(C)(N)CCOC(C)(C)C)C(C)(C)N
InChIInChI=1S/C17H38N2O2/c1-13(15(5,6)18)12-21-16(7,8)17(9,19)10-11-20-14(2,3)4/h13H,10-12,18-19H2,1-9H3
InChIKeyAVFWBWNICBVJQC-UHFFFAOYSA-N
MW302.50 g/mol
LogP3.08
Rot. Bonds8

About 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine

4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine (PubChem CID 131965733) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine.

Molecular Properties

Compound Name4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
PubChem CID131965733
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Name4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
SMILESCC(COC(C)(C)C(C)(N)CCOC(C)(C)C)C(C)(C)N
InChIInChI=1S/C17H38N2O2/c1-13(15(5,6)18)12-21-16(7,8)17(9,19)10-11-20-14(2,3)4/h13H,10-12,18-19H2,1-9H3
InChIKeyAVFWBWNICBVJQC-UHFFFAOYSA-N
XLogP3.08
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
CID 89018610
4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine
CID 175624779
1-[3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxy-2,3-dimethylpentan-3-amine
CID 89103507
4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
CID 130217524
4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3-trimethylpentoxy]-4-methylpentan-2-amine
CID 89130713
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
5-(3,3-dimethylbutoxy)-3-ethyl-2,3,5-trimethyl-1-[2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyhexane
CID 123287031
2,4-dimethyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentane
CID 123352444
3-(2-methoxypropoxy)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 121440686
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol
CID 112592507
2-[[2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 88941520

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
The IUPAC name of 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine (CID 131965733) is 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine.
What is the SMILES notation for 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
The canonical SMILES for 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine is CC(COC(C)(C)C(C)(N)CCOC(C)(C)C)C(C)(C)N.
What is the InChIKey of 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
The InChIKey is AVFWBWNICBVJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O2/c1-13(15(5,6)18)12-21-16(7,8)17(9,19)10-11-20-14(2,3)4/h13H,10-12,18-19H2,1-9H3.
What are the key properties of 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine has a molecular weight of 302.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine is sourced from PubChem (CID 131965733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).