3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane

C14H26N4 — CID 103016739

IUPAC3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane
SMILESCC1CCNC(C)(C)CN1CCc1ccnn1C
InChIInChI=1S/C14H26N4/c1-12-5-8-15-14(2,3)11-18(12)10-7-13-6-9-16-17(13)4/h6,9,12,15H,5,7-8,10-11H2,1-4H3
InChIKeyLBKYHEFPFUEBMO-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.42
Rot. Bonds3

About 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane

3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane (PubChem CID 103016739) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane
PubChem CID103016739
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane
SMILESCC1CCNC(C)(C)CN1CCc1ccnn1C
InChIInChI=1S/C14H26N4/c1-12-5-8-15-14(2,3)11-18(12)10-7-13-6-9-16-17(13)4/h6,9,12,15H,5,7-8,10-11H2,1-4H3
InChIKeyLBKYHEFPFUEBMO-UHFFFAOYSA-N
XLogP1.42
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-diethyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 103016611
3,3,7-trimethyl-1-(3-phenylpropyl)-1,4-diazepane
CID 64870396
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane
CID 64869408
3-ethyl-3,7-dimethyl-1-(2-phenylethyl)-1,4-diazepane
CID 64871055
8-cyclopropyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016553
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269
3,3,7-trimethyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64869207
3,3,7-trimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 112651542
8-ethyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016543
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 103174293
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane?
The IUPAC name of 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane (CID 103016739) is 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane is CC1CCNC(C)(C)CN1CCc1ccnn1C.
What is the InChIKey of 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane?
The InChIKey is LBKYHEFPFUEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12-5-8-15-14(2,3)11-18(12)10-7-13-6-9-16-17(13)4/h6,9,12,15H,5,7-8,10-11H2,1-4H3.
What are the key properties of 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane?
3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane has a molecular weight of 250.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 103016739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).