N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine

C15H24ClN3O — CID 62283822

IUPACN-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCOCC2CC)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-3-5-17-9-12-8-14(16)15(18-10-12)19-6-7-20-11-13(19)4-2/h8,10,13,17H,3-7,9,11H2,1-2H3
InChIKeyIVCIXJVBWGLQIK-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.85
Rot. Bonds6

About N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62283822) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62283822
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCOCC2CC)c(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-3-5-17-9-12-8-14(16)15(18-10-12)19-6-7-20-11-13(19)4-2/h8,10,13,17H,3-7,9,11H2,1-2H3
InChIKeyIVCIXJVBWGLQIK-UHFFFAOYSA-N
XLogP2.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942
N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293345
N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55055019
N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
CID 83106018
1-[3-chloro-5-(propylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465095
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
N-[[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134182
N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62287828
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81146788
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
CID 102728376

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62283822) is N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(N2CCOCC2CC)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is IVCIXJVBWGLQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-5-17-9-12-8-14(16)15(18-10-12)19-6-7-20-11-13(19)4-2/h8,10,13,17H,3-7,9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62283822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).