7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine

C17H38N2O2 — CID 143945295

IUPAC7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine
SMILESCCC(CN)C(OC)C(C)CCC(C)(CN)COC(C)C
InChIInChI=1S/C17H38N2O2/c1-7-15(10-18)16(20-6)14(4)8-9-17(5,11-19)12-21-13(2)3/h13-16H,7-12,18-19H2,1-6H3
InChIKeyGVUJQYAGEIUSLB-UHFFFAOYSA-N
MW302.50 g/mol
LogP2.79
Rot. Bonds12

About 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine

7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine (PubChem CID 143945295) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine.

Molecular Properties

Compound Name7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine
PubChem CID143945295
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Name7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine
SMILESCCC(CN)C(OC)C(C)CCC(C)(CN)COC(C)C
InChIInChI=1S/C17H38N2O2/c1-7-15(10-18)16(20-6)14(4)8-9-17(5,11-19)12-21-13(2)3/h13-16H,7-12,18-19H2,1-6H3
InChIKeyGVUJQYAGEIUSLB-UHFFFAOYSA-N
XLogP2.79
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine with MolForge

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Related Compounds

2-ethyl-3-methoxybutan-1-amine
CID 88936076
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
1-bromo-2-methyl-2-(propan-2-yloxymethyl)butane
CID 165445799
3-ethyl-1-propan-2-yloxypentan-2-amine
CID 105013387
2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine
CID 112566443
2-[(2R)-butan-2-yl]-4,4-dimethylhexan-1-amine
CID 89354237
(2S,3R)-2-methoxy-3-methylpentan-1-amine
CID 124510675
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
3-ethyl-4-methylhexan-1-amine
CID 123538643
4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol
CID 165445412
(4R)-3-ethyl-4-methylhexane
CID 59954491

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine?
The IUPAC name of 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine (CID 143945295) is 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine.
What is the SMILES notation for 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine?
The canonical SMILES for 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine is CCC(CN)C(OC)C(C)CCC(C)(CN)COC(C)C.
What is the InChIKey of 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine?
The InChIKey is GVUJQYAGEIUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O2/c1-7-15(10-18)16(20-6)14(4)8-9-17(5,11-19)12-21-13(2)3/h13-16H,7-12,18-19H2,1-6H3.
What are the key properties of 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine?
7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine has a molecular weight of 302.50 g/mol, XLogP of 2.79, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methoxy-2,5-dimethyl-2-(propan-2-yloxymethyl)octane-1,8-diamine is sourced from PubChem (CID 143945295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).