1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone

C14H22N4O — CID 83122852

IUPAC1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2ccc(C(C)N)nc2)CC1
InChIInChI=1S/C14H22N4O/c1-11(15)14-5-4-13(10-16-14)18-7-3-6-17(8-9-18)12(2)19/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyFRIPEMGOGQENRP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.16
Rot. Bonds2

About 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone

1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 83122852) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
PubChem CID83122852
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2ccc(C(C)N)nc2)CC1
InChIInChI=1S/C14H22N4O/c1-11(15)14-5-4-13(10-16-14)18-7-3-6-17(8-9-18)12(2)19/h4-5,10-11H,3,6-9,15H2,1-2H3
InChIKeyFRIPEMGOGQENRP-UHFFFAOYSA-N
XLogP1.16
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 83122934
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83131846
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
CID 83122876
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 114083488
1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
(1S)-1-[5-(1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 83122995
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83127547
(1R)-1-[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]ethanamine
CID 83122006

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone (CID 83122852) is 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(c2ccc(C(C)N)nc2)CC1.
What is the InChIKey of 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is FRIPEMGOGQENRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(15)14-5-4-13(10-16-14)18-7-3-6-17(8-9-18)12(2)19/h4-5,10-11H,3,6-9,15H2,1-2H3.
What are the key properties of 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 83122852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).