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

C6H14ClN3 — CID 22617742

IUPAC4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride
SMILESCN1CCN=C(N)CC1.Cl
InChIInChI=1S/C6H13N3.ClH/c1-9-4-2-6(7)8-3-5-9;/h2-5H2,1H3,(H2,7,8);1H
InChIKeyLKQUKFWALVSMSO-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.10
Rot. Bonds

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

4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride (PubChem CID 22617742) has the molecular formula C6H14ClN3 and a molecular weight of 163.65 g/mol. Its IUPAC name is 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride
PubChem CID22617742
Molecular FormulaC6H14ClN3
Molecular Weight163.65 g/mol
Exact Mass163.09
IUPAC Name4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride
SMILESCN1CCN=C(N)CC1.Cl
InChIInChI=1S/C6H13N3.ClH/c1-9-4-2-6(7)8-3-5-9;/h2-5H2,1H3,(H2,7,8);1H
InChIKeyLKQUKFWALVSMSO-UHFFFAOYSA-N
XLogP0.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride?
The IUPAC name of 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride (CID 22617742) is 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride.
What is the SMILES notation for 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride?
The canonical SMILES for 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride is CN1CCN=C(N)CC1.Cl.
What is the InChIKey of 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride?
The InChIKey is LKQUKFWALVSMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.ClH/c1-9-4-2-6(7)8-3-5-9;/h2-5H2,1H3,(H2,7,8);1H.
What are the key properties of 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride?
4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,5,6-tetrahydro-1,4-diazepin-7-amine;hydrochloride is sourced from PubChem (CID 22617742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).