7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine

C9H16N2 — CID 170363509

IUPAC7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine
SMILESCC1=NC=CN(C(C)C)CC1
InChIInChI=1S/C9H16N2/c1-8(2)11-6-4-9(3)10-5-7-11/h5,7-8H,4,6H2,1-3H3
InChIKeyJNUWQPYXHKDVBL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds1

About 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine

7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine (PubChem CID 170363509) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine.

Molecular Properties

Compound Name7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine
PubChem CID170363509
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine
SMILESCC1=NC=CN(C(C)C)CC1
InChIInChI=1S/C9H16N2/c1-8(2)11-6-4-9(3)10-5-7-11/h5,7-8H,4,6H2,1-3H3
InChIKeyJNUWQPYXHKDVBL-UHFFFAOYSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine?
The IUPAC name of 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine (CID 170363509) is 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine.
What is the SMILES notation for 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine?
The canonical SMILES for 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine is CC1=NC=CN(C(C)C)CC1.
What is the InChIKey of 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine?
The InChIKey is JNUWQPYXHKDVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11-6-4-9(3)10-5-7-11/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine?
7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine has a molecular weight of 152.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propan-2-yl-5,6-dihydro-1,4-diazepine is sourced from PubChem (CID 170363509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).