3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane

C15H32N2 — CID 64945203

IUPAC3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane
SMILESCCC1CN(C(C)CCCC(C)C)CCCN1
InChIInChI=1S/C15H32N2/c1-5-15-12-17(11-7-10-16-15)14(4)9-6-8-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyAFEJYRUUBKMSKU-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds6

About 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane

3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane (PubChem CID 64945203) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane
PubChem CID64945203
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane
SMILESCCC1CN(C(C)CCCC(C)C)CCCN1
InChIInChI=1S/C15H32N2/c1-5-15-12-17(11-7-10-16-15)14(4)9-6-8-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyAFEJYRUUBKMSKU-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(4-methylpentan-2-yl)-1,4-diazepane
CID 64944715
3-ethyl-1-(1-methylsulfonylpropan-2-yl)-1,4-diazepane
CID 64950632
3-ethyl-1-pentan-3-yl-1,4-diazepane
CID 64943503
3-ethyl-1-(4-methoxybutan-2-yl)piperazine
CID 64953453
3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
CID 64950354
1-heptan-2-yl-3-propylpiperazine
CID 64924539
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
3-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane
CID 64942847
1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943811
1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
CID 64950940
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
1-hexan-2-yl-1,5-diazocane
CID 62200653

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane?
The IUPAC name of 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane (CID 64945203) is 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane is CCC1CN(C(C)CCCC(C)C)CCCN1.
What is the InChIKey of 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane?
The InChIKey is AFEJYRUUBKMSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-15-12-17(11-7-10-16-15)14(4)9-6-8-13(2)3/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane?
3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane is sourced from PubChem (CID 64945203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).