2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine

C8H15N3 — CID 143837352

IUPAC2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine
SMILESC=C1N(C)CCC=NC1(C)N
InChIInChI=1S/C8H15N3/c1-7-8(2,9)10-5-4-6-11(7)3/h5H,1,4,6,9H2,2-3H3
InChIKeyXRCUCPMEXFVHRF-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.58
Rot. Bonds

About 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine

2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine (PubChem CID 143837352) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine
PubChem CID143837352
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine
SMILESC=C1N(C)CCC=NC1(C)N
InChIInChI=1S/C8H15N3/c1-7-8(2,9)10-5-4-6-11(7)3/h5H,1,4,6,9H2,2-3H3
InChIKeyXRCUCPMEXFVHRF-UHFFFAOYSA-N
XLogP0.58
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143182292
2-amino-3-methyl-4,5-dihydro-1,3-diazepine-7-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine?
The IUPAC name of 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine (CID 143837352) is 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine.
What is the SMILES notation for 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine?
The canonical SMILES for 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine is C=C1N(C)CCC=NC1(C)N.
What is the InChIKey of 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine?
The InChIKey is XRCUCPMEXFVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7-8(2,9)10-5-4-6-11(7)3/h5H,1,4,6,9H2,2-3H3.
What are the key properties of 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine?
2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-methylidene-5,6-dihydro-1,4-diazepin-2-amine is sourced from PubChem (CID 143837352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).