3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane

C16H28N4 — CID 64871007

IUPAC3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
SMILESCc1nccn1CCN1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C16H28N4/c1-13-6-7-18-16(3,15-4-5-15)12-20(13)11-10-19-9-8-17-14(19)2/h8-9,13,15,18H,4-7,10-12H2,1-3H3
InChIKeyQXZNDYIPUPRXBK-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.04
Rot. Bonds4

About 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane

3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane (PubChem CID 64871007) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
PubChem CID64871007
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
SMILESCc1nccn1CCN1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C16H28N4/c1-13-6-7-18-16(3,15-4-5-15)12-20(13)11-10-19-9-8-17-14(19)2/h8-9,13,15,18H,4-7,10-12H2,1-3H3
InChIKeyQXZNDYIPUPRXBK-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-methyl-11-[2-(2-methylimidazol-1-yl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 64869981
5-cyclopropyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-2-propylpiperazine
CID 64876913
3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64871206
3-cyclopropyl-1-(2-ethoxyethyl)-3,7-dimethyl-1,4-diazepane
CID 64871599
3-cyclopropyl-3,7-dimethyl-1-(oxan-4-ylmethyl)-1,4-diazepane
CID 64870613
1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80669869
2-ethyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64847055
1-[(3-bromophenyl)methyl]-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
CID 64871008
3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870416
3-[2-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421427
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
2-ethyl-2,5,5-trimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 64838762

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane (CID 64871007) is 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane is Cc1nccn1CCN1CC(C)(C2CC2)NCCC1C.
What is the InChIKey of 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane?
The InChIKey is QXZNDYIPUPRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-6-7-18-16(3,15-4-5-15)12-20(13)11-10-19-9-8-17-14(19)2/h8-9,13,15,18H,4-7,10-12H2,1-3H3.
What are the key properties of 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane?
3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane has a molecular weight of 276.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,7-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 64871007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).