N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine

C17H25ClN2O — CID 63488635

IUPACN-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCC2CC=CCC2C)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-3-8-19-10-14-9-16(18)17(20-11-14)21-12-15-7-5-4-6-13(15)2/h4-5,9,11,13,15,19H,3,6-8,10,12H2,1-2H3
InChIKeyKWVHVYWXZNPLEC-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.22
Rot. Bonds7

About N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 63488635) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine
PubChem CID63488635
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCC2CC=CCC2C)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-3-8-19-10-14-9-16(18)17(20-11-14)21-12-15-7-5-4-6-13(15)2/h4-5,9,11,13,15,19H,3,6-8,10,12H2,1-2H3
InChIKeyKWVHVYWXZNPLEC-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679769
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 62455925
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
CID 103405941
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66275529
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
1-[3-chloro-5-(propylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465095
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine (CID 63488635) is N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(OCC2CC=CCC2C)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is KWVHVYWXZNPLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-8-19-10-14-9-16(18)17(20-11-14)21-12-15-7-5-4-6-13(15)2/h4-5,9,11,13,15,19H,3,6-8,10,12H2,1-2H3.
What are the key properties of N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 308.85 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 63488635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).