3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane

C15H30N2 — CID 103465296

IUPAC3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane
SMILESCCC(C)(C)CN1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-5-14(2,3)11-17-10-6-9-16-15(4,12-17)13-7-8-13/h13,16H,5-12H2,1-4H3
InChIKeyHTCVELNCXBHOKS-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds4

About 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane

3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane (PubChem CID 103465296) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane
PubChem CID103465296
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane
SMILESCCC(C)(C)CN1CCCNC(C)(C2CC2)C1
InChIInChI=1S/C15H30N2/c1-5-14(2,3)11-17-10-6-9-16-15(4,12-17)13-7-8-13/h13,16H,5-12H2,1-4H3
InChIKeyHTCVELNCXBHOKS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-methyl-1-(2-methylbutan-2-yl)-1,4-diazepane
CID 64944681
3-cyclopropyl-3-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329737
3-cyclopropyl-3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550753
3-cyclopropyl-3-methyl-1-pent-4-ynyl-1,4-diazepane
CID 106221926
3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-3-methyl-1,4-diazepane
CID 64872286
1-[(2-chlorophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64871685
3-cyclopropyl-3-methyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64869910
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64871682
1-[(2-bromophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64872279
3-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64869909
3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
CID 64871487
1-(2,2-dimethylbutyl)-3,3-diethylpiperazine
CID 103465193

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane (CID 103465296) is 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane is CCC(C)(C)CN1CCCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane?
The InChIKey is HTCVELNCXBHOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-14(2,3)11-17-10-6-9-16-15(4,12-17)13-7-8-13/h13,16H,5-12H2,1-4H3.
What are the key properties of 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane?
3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane has a molecular weight of 238.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2-dimethylbutyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 103465296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).