1,4-dimethyl-1,4-diazecane;ethane

C12H28N2 — CID 143609892

IUPAC1,4-dimethyl-1,4-diazecane;ethane
SMILESCC.CN1CCCCCCN(C)CC1
InChIInChI=1S/C10H22N2.C2H6/c1-11-7-5-3-4-6-8-12(2)10-9-11;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyAPKKWCOVRJJYTG-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.45
Rot. Bonds

About 1,4-dimethyl-1,4-diazecane;ethane

1,4-dimethyl-1,4-diazecane;ethane (PubChem CID 143609892) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1,4-dimethyl-1,4-diazecane;ethane.

Molecular Properties

Compound Name1,4-dimethyl-1,4-diazecane;ethane
PubChem CID143609892
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1,4-dimethyl-1,4-diazecane;ethane
SMILESCC.CN1CCCCCCN(C)CC1
InChIInChI=1S/C10H22N2.C2H6/c1-11-7-5-3-4-6-8-12(2)10-9-11;1-2/h3-10H2,1-2H3;1-2H3
InChIKeyAPKKWCOVRJJYTG-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
ethane;bis(1-methylpyrrolidine)
CID 153385238
azane;ethane;methane;1-methylpiperidine
CID 159571038
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654
ethane;methanol;1-methylazepane
CID 171650925
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,4-diazecane;ethane?
The IUPAC name of 1,4-dimethyl-1,4-diazecane;ethane (CID 143609892) is 1,4-dimethyl-1,4-diazecane;ethane.
What is the SMILES notation for 1,4-dimethyl-1,4-diazecane;ethane?
The canonical SMILES for 1,4-dimethyl-1,4-diazecane;ethane is CC.CN1CCCCCCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-1,4-diazecane;ethane?
The InChIKey is APKKWCOVRJJYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C2H6/c1-11-7-5-3-4-6-8-12(2)10-9-11;1-2/h3-10H2,1-2H3;1-2H3.
What are the key properties of 1,4-dimethyl-1,4-diazecane;ethane?
1,4-dimethyl-1,4-diazecane;ethane has a molecular weight of 200.37 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1,4-diazecane;ethane is sourced from PubChem (CID 143609892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).