1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane

C14H28N2 — CID 79451068

IUPAC1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
SMILESCCC(C)N1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C14H28N2/c1-5-11(2)16-10-14(4,13-6-7-13)15-9-8-12(16)3/h11-13,15H,5-10H2,1-4H3
InChIKeyQPWWAOVSGRSTPO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds3

About 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane

1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane (PubChem CID 79451068) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
PubChem CID79451068
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
SMILESCCC(C)N1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C14H28N2/c1-5-11(2)16-10-14(4,13-6-7-13)15-9-8-12(16)3/h11-13,15H,5-10H2,1-4H3
InChIKeyQPWWAOVSGRSTPO-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870416
5-cyclopropyl-2,5-dimethyl-1-propan-2-ylpiperazine
CID 64875943
3-cyclopropyl-1-(2-ethoxyethyl)-3,7-dimethyl-1,4-diazepane
CID 64871599
1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 79445840
5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2,5-dimethylpiperazine
CID 104830157
2-[1-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64942052
3-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,7-dimethyl-1,4-diazepane
CID 65096316
5-cyclopropyl-5-methyl-1-(2-methylpentan-3-yl)-2-propan-2-ylpiperazine
CID 64946234
5-cyclopropyl-5-methyl-1-pentan-2-yl-2-propan-2-ylpiperazine
CID 64932384
3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64871206
3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64870613
3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 64871799

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane?
The IUPAC name of 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane (CID 79451068) is 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane?
The canonical SMILES for 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane is CCC(C)N1CC(C)(C2CC2)NCCC1C.
What is the InChIKey of 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane?
The InChIKey is QPWWAOVSGRSTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-11(2)16-10-14(4,13-6-7-13)15-9-8-12(16)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane?
1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-cyclopropyl-3,7-dimethyl-1,4-diazepane is sourced from PubChem (CID 79451068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).