1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol

C15H25N3O — CID 107408556

IUPAC1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol
SMILESCCNc1ncccc1CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H25N3O/c1-3-16-14-13(6-4-9-17-14)12-18-10-5-7-15(2,19)8-11-18/h4,6,9,19H,3,5,7-8,10-12H2,1-2H3,(H,16,17)
InChIKeyZAUODFVXXSMJMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds4

About 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol

1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol (PubChem CID 107408556) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol
PubChem CID107408556
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol
SMILESCCNc1ncccc1CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H25N3O/c1-3-16-14-13(6-4-9-17-14)12-18-10-5-7-15(2,19)8-11-18/h4,6,9,19H,3,5,7-8,10-12H2,1-2H3,(H,16,17)
InChIKeyZAUODFVXXSMJMC-UHFFFAOYSA-N
XLogP2.25
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
CID 107408579
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine
CID 63152815
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
3-[(2,2-dimethylmorpholin-4-yl)methyl]-N-ethylpyridin-2-amine
CID 62470276
4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892610
1-[[2-(ethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55075402
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 107394997
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylpyridin-2-amine
CID 62471001
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
N-ethyl-3-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 55075566

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol (CID 107408556) is 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol is CCNc1ncccc1CN1CCCC(C)(O)CC1.
What is the InChIKey of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol?
The InChIKey is ZAUODFVXXSMJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-16-14-13(6-4-9-17-14)12-18-10-5-7-15(2,19)8-11-18/h4,6,9,19H,3,5,7-8,10-12H2,1-2H3,(H,16,17).
What are the key properties of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol?
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).