1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine

C14H23N3 — CID 65072640

IUPAC1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESCCN1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C14H23N3/c1-2-17-10-5-7-13(8-11-17)16-12-14-6-3-4-9-15-14/h3-4,6,9,13,16H,2,5,7-8,10-12H2,1H3
InChIKeyYRJSFXOZJABHFG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.05
Rot. Bonds4

About 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine

1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine (PubChem CID 65072640) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
PubChem CID65072640
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESCCN1CCCC(NCc2ccccn2)CC1
InChIInChI=1S/C14H23N3/c1-2-17-10-5-7-13(8-11-17)16-12-14-6-3-4-9-15-14/h3-4,6,9,13,16H,2,5,7-8,10-12H2,1H3
InChIKeyYRJSFXOZJABHFG-UHFFFAOYSA-N
XLogP2.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine (CID 65072640) is 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine is CCN1CCCC(NCc2ccccn2)CC1.
What is the InChIKey of 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
The InChIKey is YRJSFXOZJABHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-17-10-5-7-13(8-11-17)16-12-14-6-3-4-9-15-14/h3-4,6,9,13,16H,2,5,7-8,10-12H2,1H3.
What are the key properties of 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine?
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine is sourced from PubChem (CID 65072640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).