4-methyl-6-propan-2-yl-4H-diazepine

C9H14N2 — CID 90930620

IUPAC4-methyl-6-propan-2-yl-4H-diazepine
SMILESCC1C=NN=CC(C(C)C)=C1
InChIInChI=1S/C9H14N2/c1-7(2)9-4-8(3)5-10-11-6-9/h4-8H,1-3H3
InChIKeyFOOYHRSOPIKQQL-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.28
Rot. Bonds1

About 4-methyl-6-propan-2-yl-4H-diazepine

4-methyl-6-propan-2-yl-4H-diazepine (PubChem CID 90930620) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-4H-diazepine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-4H-diazepine
PubChem CID90930620
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-methyl-6-propan-2-yl-4H-diazepine
SMILESCC1C=NN=CC(C(C)C)=C1
InChIInChI=1S/C9H14N2/c1-7(2)9-4-8(3)5-10-11-6-9/h4-8H,1-3H3
InChIKeyFOOYHRSOPIKQQL-UHFFFAOYSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14971606
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(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
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(E)-2-methyl-N-(methylideneamino)pent-2-en-1-imine
CID 91298356
6-ethyl-4H-triazepine
CID 91365116
(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
CID 122451923
N-(ethylideneamino)-3-methylpent-2-en-1-imine
CID 123264829
(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine
CID 123391206
(Z,2E)-2,4-dimethyl-N-[(Z)-propylideneamino]penta-2,4-dien-1-imine
CID 123393617
4,4,6-Trimethyldiazepine
CID 123475101
N,3,4-trimethylpent-2-en-1-imine
CID 123590222
(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine
CID 123766491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-4H-diazepine?
The IUPAC name of 4-methyl-6-propan-2-yl-4H-diazepine (CID 90930620) is 4-methyl-6-propan-2-yl-4H-diazepine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-4H-diazepine?
The canonical SMILES for 4-methyl-6-propan-2-yl-4H-diazepine is CC1C=NN=CC(C(C)C)=C1.
What is the InChIKey of 4-methyl-6-propan-2-yl-4H-diazepine?
The InChIKey is FOOYHRSOPIKQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-4-8(3)5-10-11-6-9/h4-8H,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-4H-diazepine?
4-methyl-6-propan-2-yl-4H-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-4H-diazepine is sourced from PubChem (CID 90930620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).