N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine

C14H23N3O — CID 62972985

IUPACN-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(CN2CCCOC(C)C2)cn1
InChIInChI=1S/C14H23N3O/c1-3-15-14-6-5-13(9-16-14)11-17-7-4-8-18-12(2)10-17/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyCMCGSQDOZQWAFD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds4

About N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine

N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine (PubChem CID 62972985) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
PubChem CID62972985
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(CN2CCCOC(C)C2)cn1
InChIInChI=1S/C14H23N3O/c1-3-15-14-6-5-13(9-16-14)11-17-7-4-8-18-12(2)10-17/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyCMCGSQDOZQWAFD-UHFFFAOYSA-N
XLogP2.12
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-methylmorpholin-4-yl)methyl]-2-pyridinyl]hydrazine
CID 62244989
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
5-[(2,2-dimethylmorpholin-4-yl)methyl]-N-ethylpyridin-2-amine
CID 62182420
N-ethyl-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 107394995
N-[2-[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347604
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
4-[(2-chloro-4-pyridinyl)methyl]-2-methyl-1,4-oxazepane
CID 62988182
5-[(4-ethoxypiperidin-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62183322
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62183133
N-ethyl-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 63972576
N-ethyl-6-[(2-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79242891
1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one
CID 104680386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine (CID 62972985) is N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine is CCNc1ccc(CN2CCCOC(C)C2)cn1.
What is the InChIKey of N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
The InChIKey is CMCGSQDOZQWAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-14-6-5-13(9-16-14)11-17-7-4-8-18-12(2)10-17/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine?
N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62972985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).