(5S)-2,5-dimethyl-1,4-diazepane

C7H16N2 — CID 143410890

IUPAC(5S)-2,5-dimethyl-1,4-diazepane
SMILESCC1CN[C@@H](C)CCN1
InChIInChI=1S/C7H16N2/c1-6-3-4-8-7(2)5-9-6/h6-9H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeySNWRXYHBFWBLGR-PKPIPKONSA-N
MW128.22 g/mol
LogP0.35
Rot. Bonds

About (5S)-2,5-dimethyl-1,4-diazepane

(5S)-2,5-dimethyl-1,4-diazepane (PubChem CID 143410890) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (5S)-2,5-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name(5S)-2,5-dimethyl-1,4-diazepane
PubChem CID143410890
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(5S)-2,5-dimethyl-1,4-diazepane
SMILESCC1CN[C@@H](C)CCN1
InChIInChI=1S/C7H16N2/c1-6-3-4-8-7(2)5-9-6/h6-9H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeySNWRXYHBFWBLGR-PKPIPKONSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane
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trans-(5R,12R)-5,12-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 95242676
2-methylpyrrolidine
CID 142041388
2-methylpyrrolidine
CID 13003
5-methyl-1,4-diazepane;dihydrochloride
CID 75530243
2,5-dimethylpiperidine;hydrochloride
CID 55286237
5-methylpiperazin-2-ol;hydrochloride
CID 174721489
2-methyl-1,5,9-triazacyclododecane
CID 22113611
(2R,7S)-2,7-dimethylazocane
CID 146199429

Frequently Asked Questions

What is the IUPAC name of (5S)-2,5-dimethyl-1,4-diazepane?
The IUPAC name of (5S)-2,5-dimethyl-1,4-diazepane (CID 143410890) is (5S)-2,5-dimethyl-1,4-diazepane.
What is the SMILES notation for (5S)-2,5-dimethyl-1,4-diazepane?
The canonical SMILES for (5S)-2,5-dimethyl-1,4-diazepane is CC1CN[C@@H](C)CCN1.
What is the InChIKey of (5S)-2,5-dimethyl-1,4-diazepane?
The InChIKey is SNWRXYHBFWBLGR-PKPIPKONSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-3-4-8-7(2)5-9-6/h6-9H,3-5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of (5S)-2,5-dimethyl-1,4-diazepane?
(5S)-2,5-dimethyl-1,4-diazepane has a molecular weight of 128.22 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,5-dimethyl-1,4-diazepane is sourced from PubChem (CID 143410890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).