6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane

C10H20N2 — CID 62409987

IUPAC6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane
SMILESCC1CNCCN(C2CC2C)C1
InChIInChI=1S/C10H20N2/c1-8-6-11-3-4-12(7-8)10-5-9(10)2/h8-11H,3-7H2,1-2H3
InChIKeyPCVJSECWGNSVQE-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds1

About 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane

6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane (PubChem CID 62409987) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane
PubChem CID62409987
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane
SMILESCC1CNCCN(C2CC2C)C1
InChIInChI=1S/C10H20N2/c1-8-6-11-3-4-12(7-8)10-5-9(10)2/h8-11H,3-7H2,1-2H3
InChIKeyPCVJSECWGNSVQE-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane?
The IUPAC name of 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane (CID 62409987) is 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane?
The canonical SMILES for 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane is CC1CNCCN(C2CC2C)C1.
What is the InChIKey of 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane?
The InChIKey is PCVJSECWGNSVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-6-11-3-4-12(7-8)10-5-9(10)2/h8-11H,3-7H2,1-2H3.
What are the key properties of 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane?
6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane has a molecular weight of 168.28 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane is sourced from PubChem (CID 62409987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).