1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine

C16H27N3O — CID 65073239

IUPAC1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine
SMILESCCN1CCCC(Nc2cccnc2OC(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-4-19-11-6-7-14(9-12-19)18-15-8-5-10-17-16(15)20-13(2)3/h5,8,10,13-14,18H,4,6-7,9,11-12H2,1-3H3
InChIKeyCGCAKGAJXILQMT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds5

About 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine

1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine (PubChem CID 65073239) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine
PubChem CID65073239
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine
SMILESCCN1CCCC(Nc2cccnc2OC(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-4-19-11-6-7-14(9-12-19)18-15-8-5-10-17-16(15)20-13(2)3/h5,8,10,13-14,18H,4,6-7,9,11-12H2,1-3H3
InChIKeyCGCAKGAJXILQMT-UHFFFAOYSA-N
XLogP3.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylazepan-4-yl)quinolin-8-amine
CID 65073031
4-[(2-propan-2-yloxy-3-pyridinyl)amino]cyclohexan-1-ol
CID 106594487
N-(2-methylcyclohexyl)-2-propan-2-yloxypyridin-3-amine
CID 63455454
N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
CID 79041986
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine
CID 115922180
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
2-propan-2-yloxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-3-amine
CID 63454403
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
CID 60934851
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine
CID 63455455
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 115923056

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine (CID 65073239) is 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine is CCN1CCCC(Nc2cccnc2OC(C)C)CC1.
What is the InChIKey of 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine?
The InChIKey is CGCAKGAJXILQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-19-11-6-7-14(9-12-19)18-15-8-5-10-17-16(15)20-13(2)3/h5,8,10,13-14,18H,4,6-7,9,11-12H2,1-3H3.
What are the key properties of 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine?
1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-propan-2-yloxy-3-pyridinyl)azepan-4-amine is sourced from PubChem (CID 65073239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).