3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane

C15H25N3 — CID 64871240

IUPAC3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane
SMILESCCC1(C)CN(Cc2ccccn2)C(C)CCN1
InChIInChI=1S/C15H25N3/c1-4-15(3)12-18(13(2)8-10-17-15)11-14-7-5-6-9-16-14/h5-7,9,13,17H,4,8,10-12H2,1-3H3
InChIKeyRVZAACPGQNEVLI-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.43
Rot. Bonds3

About 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane

3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane (PubChem CID 64871240) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane
PubChem CID64871240
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane
SMILESCCC1(C)CN(Cc2ccccn2)C(C)CCN1
InChIInChI=1S/C15H25N3/c1-4-15(3)12-18(13(2)8-10-17-15)11-14-7-5-6-9-16-14/h5-7,9,13,17H,4,8,10-12H2,1-3H3
InChIKeyRVZAACPGQNEVLI-UHFFFAOYSA-N
XLogP2.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64871260
1-[(2-bromophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871029
3-ethyl-3,7-dimethyl-1-(2-phenylethyl)-1,4-diazepane
CID 64871055
1-[(3-chlorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871428
3-ethyl-3,7-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056288
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
1-[2-(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907745
5,5-diethyl-2-methyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64933169
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
3,3,7-trimethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 112651542
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871241
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64871622

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane?
The IUPAC name of 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane (CID 64871240) is 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane is CCC1(C)CN(Cc2ccccn2)C(C)CCN1.
What is the InChIKey of 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane?
The InChIKey is RVZAACPGQNEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-15(3)12-18(13(2)8-10-17-15)11-14-7-5-6-9-16-14/h5-7,9,13,17H,4,8,10-12H2,1-3H3.
What are the key properties of 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane?
3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane has a molecular weight of 247.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 64871240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).