(2S,4R)-7,7-dimethoxyheptane-2,4-diamine

C9H22N2O2 — CID 11229262

IUPAC(2S,4R)-7,7-dimethoxyheptane-2,4-diamine
SMILESCOC(CC[C@@H](N)C[C@H](C)N)OC
InChIInChI=1S/C9H22N2O2/c1-7(10)6-8(11)4-5-9(12-2)13-3/h7-9H,4-6,10-11H2,1-3H3/t7-,8+/m0/s1
InChIKeyYBHANYHTMUFUMO-JGVFFNPUSA-N
MW190.29 g/mol
LogP0.45
Rot. Bonds7

About (2S,4R)-7,7-dimethoxyheptane-2,4-diamine

(2S,4R)-7,7-dimethoxyheptane-2,4-diamine (PubChem CID 11229262) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S,4R)-7,7-dimethoxyheptane-2,4-diamine.

Molecular Properties

Compound Name(2S,4R)-7,7-dimethoxyheptane-2,4-diamine
PubChem CID11229262
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name(2S,4R)-7,7-dimethoxyheptane-2,4-diamine
SMILESCOC(CC[C@@H](N)C[C@H](C)N)OC
InChIInChI=1S/C9H22N2O2/c1-7(10)6-8(11)4-5-9(12-2)13-3/h7-9H,4-6,10-11H2,1-3H3/t7-,8+/m0/s1
InChIKeyYBHANYHTMUFUMO-JGVFFNPUSA-N
XLogP0.45
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

nonane-2,4,6,8-tetramine
CID 142330039
CID 57182943
CID 57182943
1-dimethoxysilylpentane-2,4-diamine
CID 175182162
6-trihydroxysilylhexane-2,4-diamine
CID 87683486
1,1,5,5-tetramethoxy-2-methylpentane
CID 3017889
2-methoxy-7-methyldecan-5-amine
CID 105138036
5,5-dimethoxypentane-1,3-diol
CID 57301339
(2S)-2-amino-5-methoxyhexan-1-ol
CID 58308158
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
2-(3,3-dimethoxypropyl)propane-1,3-diol
CID 19350817
3-iodo-1,1-dimethoxypropane
CID 11042538

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-7,7-dimethoxyheptane-2,4-diamine?
The IUPAC name of (2S,4R)-7,7-dimethoxyheptane-2,4-diamine (CID 11229262) is (2S,4R)-7,7-dimethoxyheptane-2,4-diamine.
What is the SMILES notation for (2S,4R)-7,7-dimethoxyheptane-2,4-diamine?
The canonical SMILES for (2S,4R)-7,7-dimethoxyheptane-2,4-diamine is COC(CC[C@@H](N)C[C@H](C)N)OC.
What is the InChIKey of (2S,4R)-7,7-dimethoxyheptane-2,4-diamine?
The InChIKey is YBHANYHTMUFUMO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-7(10)6-8(11)4-5-9(12-2)13-3/h7-9H,4-6,10-11H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,4R)-7,7-dimethoxyheptane-2,4-diamine?
(2S,4R)-7,7-dimethoxyheptane-2,4-diamine has a molecular weight of 190.29 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-7,7-dimethoxyheptane-2,4-diamine is sourced from PubChem (CID 11229262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).