1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane

C15H32N2 — CID 64943811

IUPAC1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCCC(C)C(C)N1CCCNC(CC(C)C)C1
InChIInChI=1S/C15H32N2/c1-6-13(4)14(5)17-9-7-8-16-15(11-17)10-12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyQZXRKMGVTJNYBH-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds5

About 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane

1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane (PubChem CID 64943811) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
PubChem CID64943811
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCCC(C)C(C)N1CCCNC(CC(C)C)C1
InChIInChI=1S/C15H32N2/c1-6-13(4)14(5)17-9-7-8-16-15(11-17)10-12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyQZXRKMGVTJNYBH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
CID 64950940
3-butan-2-yl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64943810
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397
3-ethyl-1-pentan-3-yl-1,4-diazepane
CID 64943503
3-ethyl-1-(4-methylpentan-2-yl)-1,4-diazepane
CID 64944715
prop-2-enyl 3-(2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 82243701
3-methyl-1-[3-(2-methylpropyl)-1,4-diazepan-1-yl]butan-1-one
CID 82243739
1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540
1-(1-cyclopentylethyl)-3-(2-methylpropyl)piperazine
CID 64953833
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine
CID 64926832
3-[3-(2-methylpropyl)-1,4-diazepan-1-yl]-1-azabicyclo[2.2.2]octane
CID 64944670
1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944792

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane (CID 64943811) is 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane is CCC(C)C(C)N1CCCNC(CC(C)C)C1.
What is the InChIKey of 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane?
The InChIKey is QZXRKMGVTJNYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-13(4)14(5)17-9-7-8-16-15(11-17)10-12(2)3/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane?
1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 64943811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).