5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride

C6H15Cl2N3 — CID 67761525

IUPAC5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride
SMILESCC1CCNCC(N)=N1.Cl.Cl
InChIInChI=1S/C6H13N3.2ClH/c1-5-2-3-8-4-6(7)9-5;;/h5,8H,2-4H2,1H3,(H2,7,9);2*1H
InChIKeyVAILEGDQEAPSKP-UHFFFAOYSA-N
MW200.11 g/mol
LogP0.57
Rot. Bonds

About 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride

5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride (PubChem CID 67761525) has the molecular formula C6H15Cl2N3 and a molecular weight of 200.11 g/mol. Its IUPAC name is 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride
PubChem CID67761525
Molecular FormulaC6H15Cl2N3
Molecular Weight200.11 g/mol
Exact Mass199.06
IUPAC Name5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride
SMILESCC1CCNCC(N)=N1.Cl.Cl
InChIInChI=1S/C6H13N3.2ClH/c1-5-2-3-8-4-6(7)9-5;;/h5,8H,2-4H2,1H3,(H2,7,9);2*1H
InChIKeyVAILEGDQEAPSKP-UHFFFAOYSA-N
XLogP0.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45092769
4-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 123976121
4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
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1,4-dimethyl-4,5-dihydroimidazol-2-amine
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4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride
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4,5-dimethylazepane
CID 83679426
2-N,2-N-dimethyl-6-[[methyl(piperidin-4-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 79717108
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
2-methyl-1-(4-methylcyclohexyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
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2-pyrrolidin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105460873

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride?
The IUPAC name of 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride (CID 67761525) is 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride.
What is the SMILES notation for 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride?
The canonical SMILES for 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride is CC1CCNCC(N)=N1.Cl.Cl.
What is the InChIKey of 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride?
The InChIKey is VAILEGDQEAPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.2ClH/c1-5-2-3-8-4-6(7)9-5;;/h5,8H,2-4H2,1H3,(H2,7,9);2*1H.
What are the key properties of 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride?
5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride has a molecular weight of 200.11 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5,6,7-tetrahydro-1H-1,4-diazepin-3-amine;dihydrochloride is sourced from PubChem (CID 67761525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).