5,6,7-tri(propan-2-yl)-1,4-diazepane

C14H30N2 — CID 164721166

IUPAC5,6,7-tri(propan-2-yl)-1,4-diazepane
SMILESCC(C)C1NCCNC(C(C)C)C1C(C)C
InChIInChI=1S/C14H30N2/c1-9(2)12-13(10(3)4)15-7-8-16-14(12)11(5)6/h9-16H,7-8H2,1-6H3
InChIKeyUYLVUUBBHFPSAJ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.50
Rot. Bonds3

About 5,6,7-tri(propan-2-yl)-1,4-diazepane

5,6,7-tri(propan-2-yl)-1,4-diazepane (PubChem CID 164721166) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 5,6,7-tri(propan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name5,6,7-tri(propan-2-yl)-1,4-diazepane
PubChem CID164721166
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name5,6,7-tri(propan-2-yl)-1,4-diazepane
SMILESCC(C)C1NCCNC(C(C)C)C1C(C)C
InChIInChI=1S/C14H30N2/c1-9(2)12-13(10(3)4)15-7-8-16-14(12)11(5)6/h9-16H,7-8H2,1-6H3
InChIKeyUYLVUUBBHFPSAJ-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(methoxymethyl)-2-propan-2-ylpyrrolidine
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(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
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3-phenyl-2-propan-2-ylpyrrolidine
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4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine
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3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 5,6,7-tri(propan-2-yl)-1,4-diazepane?
The IUPAC name of 5,6,7-tri(propan-2-yl)-1,4-diazepane (CID 164721166) is 5,6,7-tri(propan-2-yl)-1,4-diazepane.
What is the SMILES notation for 5,6,7-tri(propan-2-yl)-1,4-diazepane?
The canonical SMILES for 5,6,7-tri(propan-2-yl)-1,4-diazepane is CC(C)C1NCCNC(C(C)C)C1C(C)C.
What is the InChIKey of 5,6,7-tri(propan-2-yl)-1,4-diazepane?
The InChIKey is UYLVUUBBHFPSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-9(2)12-13(10(3)4)15-7-8-16-14(12)11(5)6/h9-16H,7-8H2,1-6H3.
What are the key properties of 5,6,7-tri(propan-2-yl)-1,4-diazepane?
5,6,7-tri(propan-2-yl)-1,4-diazepane has a molecular weight of 226.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-tri(propan-2-yl)-1,4-diazepane is sourced from PubChem (CID 164721166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).