2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine

C9H20N2O2-2 — CID 163872059

IUPAC2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine
SMILESCC(CCCC(C)N(C)[O-])N(C)[O-]
InChIInChI=1S/C9H20N2O2/c1-8(10(3)12)6-5-7-9(2)11(4)13/h8-9H,5-7H2,1-4H3/q-2
InChIKeyFAUCJJHZQRPXJH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.79
Rot. Bonds6

About 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine

2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine (PubChem CID 163872059) has the molecular formula C9H20N2O2-2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine
PubChem CID163872059
Molecular FormulaC9H20N2O2-2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine
SMILESCC(CCCC(C)N(C)[O-])N(C)[O-]
InChIInChI=1S/C9H20N2O2/c1-8(10(3)12)6-5-7-9(2)11(4)13/h8-9H,5-7H2,1-4H3/q-2
InChIKeyFAUCJJHZQRPXJH-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 142548768
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078
N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
CID 123293634
2-methyl-6-[6-methylheptan-2-yl(sulfinato)amino]heptane
CID 90709848
(3R,7R)-3,7-dimethylnonane
CID 42626759
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-ethynyl-N-methylhexan-2-amine
CID 174450179
hexan-2-yl(methyl)cyanamide
CID 130581220

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine (CID 163872059) is 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine is CC(CCCC(C)N(C)[O-])N(C)[O-].
What is the InChIKey of 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine?
The InChIKey is FAUCJJHZQRPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(10(3)12)6-5-7-9(2)11(4)13/h8-9H,5-7H2,1-4H3/q-2.
What are the key properties of 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine?
2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine has a molecular weight of 188.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-2-N,6-N-dioxidoheptane-2,6-diamine is sourced from PubChem (CID 163872059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).