3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane

C15H28N4 — CID 64870345

IUPAC3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane
SMILESCCC1(CC)CN(CCCn2ccnc2)CCCN1
InChIInChI=1S/C15H28N4/c1-3-15(4-2)13-18(9-5-7-17-15)10-6-11-19-12-8-16-14-19/h8,12,14,17H,3-7,9-11,13H2,1-2H3
InChIKeyOFXSQKOMPPGATL-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.13
Rot. Bonds6

About 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane

3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane (PubChem CID 64870345) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane
PubChem CID64870345
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane
SMILESCCC1(CC)CN(CCCn2ccnc2)CCCN1
InChIInChI=1S/C15H28N4/c1-3-15(4-2)13-18(9-5-7-17-15)10-6-11-19-12-8-16-14-19/h8,12,14,17H,3-7,9-11,13H2,1-2H3
InChIKeyOFXSQKOMPPGATL-UHFFFAOYSA-N
XLogP2.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327082
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
3,3-diethyl-1-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepane
CID 82870894
2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 55149857
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
(1R,5S)-4'-(3-imidazol-1-ylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]
CID 171909678
2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 83079726
3,3-diethyl-1-[(3-methyl-4-pyridinyl)methyl]-1,4-diazepane
CID 114702003
9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875640
[(3R)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
CID 97120592

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane?
The IUPAC name of 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane (CID 64870345) is 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane.
What is the SMILES notation for 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane?
The canonical SMILES for 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane is CCC1(CC)CN(CCCn2ccnc2)CCCN1.
What is the InChIKey of 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane?
The InChIKey is OFXSQKOMPPGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-15(4-2)13-18(9-5-7-17-15)10-6-11-19-12-8-16-14-19/h8,12,14,17H,3-7,9-11,13H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane?
3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane has a molecular weight of 264.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane is sourced from PubChem (CID 64870345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).