(4S)-4-methyldiazepin-4-amine

C6H9N3 — CID 163881770

IUPAC(4S)-4-methyldiazepin-4-amine
SMILESC[C@]1(N)C=CC=NN=C1
InChIInChI=1S/C6H9N3/c1-6(7)3-2-4-8-9-5-6/h2-5H,7H2,1H3/t6-/m0/s1
InChIKeyPTVOVPWKYRSBFC-LURJTMIESA-N
MW123.16 g/mol
LogP0.33
Rot. Bonds

About (4S)-4-methyldiazepin-4-amine

(4S)-4-methyldiazepin-4-amine (PubChem CID 163881770) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (4S)-4-methyldiazepin-4-amine.

Molecular Properties

Compound Name(4S)-4-methyldiazepin-4-amine
PubChem CID163881770
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(4S)-4-methyldiazepin-4-amine
SMILESC[C@]1(N)C=CC=NN=C1
InChIInChI=1S/C6H9N3/c1-6(7)3-2-4-8-9-5-6/h2-5H,7H2,1H3/t6-/m0/s1
InChIKeyPTVOVPWKYRSBFC-LURJTMIESA-N
XLogP0.33
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylazepin-4-amine
CID 69476902
6-imino-3-methyl-2H-azepin-3-amine
CID 123670474
4-Methyl-6-propan-2-yldiazepin-4-amine
CID 135136127
(Z)-1-imino-2-methylpent-3-en-2-amine
CID 142193078
6-Ethyl-4-methyldiazepin-4-amine
CID 142451832
4-Methyldiazepin-4-amine
CID 144044670
(E)-3-methanimidoyl-2-methylpent-3-en-2-amine
CID 163939449

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyldiazepin-4-amine?
The IUPAC name of (4S)-4-methyldiazepin-4-amine (CID 163881770) is (4S)-4-methyldiazepin-4-amine.
What is the SMILES notation for (4S)-4-methyldiazepin-4-amine?
The canonical SMILES for (4S)-4-methyldiazepin-4-amine is C[C@]1(N)C=CC=NN=C1.
What is the InChIKey of (4S)-4-methyldiazepin-4-amine?
The InChIKey is PTVOVPWKYRSBFC-LURJTMIESA-N. The full InChI is InChI=1S/C6H9N3/c1-6(7)3-2-4-8-9-5-6/h2-5H,7H2,1H3/t6-/m0/s1.
What are the key properties of (4S)-4-methyldiazepin-4-amine?
(4S)-4-methyldiazepin-4-amine has a molecular weight of 123.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyldiazepin-4-amine is sourced from PubChem (CID 163881770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).