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

C15H32N2 — CID 64950940

IUPAC1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
SMILESCCCC(CC)N1CCCNC(CC(C)C)C1
InChIInChI=1S/C15H32N2/c1-5-8-15(6-2)17-10-7-9-16-14(12-17)11-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyYEEKCQRQOLDLJF-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds6

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

1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane (PubChem CID 64950940) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
PubChem CID64950940
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
SMILESCCCC(CC)N1CCCNC(CC(C)C)C1
InChIInChI=1S/C15H32N2/c1-5-8-15(6-2)17-10-7-9-16-14(12-17)11-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyYEEKCQRQOLDLJF-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

1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943811
3-ethyl-1-pentan-3-yl-1,4-diazepane
CID 64943503
1-(1-methoxypentan-2-yl)-3-propyl-1,4-diazepane
CID 64950428
1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540
3-ethyl-1-(4-methylpentan-2-yl)-1,4-diazepane
CID 64944715
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64944188
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
3-ethyl-1-(6-methylheptan-2-yl)-1,4-diazepane
CID 64945203
3-(2-methylpropyl)-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488331

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane (CID 64950940) is 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane is CCCC(CC)N1CCCNC(CC(C)C)C1.
What is the InChIKey of 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane?
The InChIKey is YEEKCQRQOLDLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-8-15(6-2)17-10-7-9-16-14(12-17)11-13(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane?
1-hexan-3-yl-3-(2-methylpropyl)-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 1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 64950940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).