N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine

C18H32N2O — CID 105026682

IUPACN-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1cncc(OCCC)c1
InChIInChI=1S/C18H32N2O/c1-4-6-7-8-9-10-11-18(19-3)16-13-17(15-20-14-16)21-12-5-2/h13-15,18-19H,4-12H2,1-3H3
InChIKeyCVLJREZWQCPFFQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.88
Rot. Bonds12

About N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine

N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine (PubChem CID 105026682) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
PubChem CID105026682
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1cncc(OCCC)c1
InChIInChI=1S/C18H32N2O/c1-4-6-7-8-9-10-11-18(19-3)16-13-17(15-20-14-16)21-12-5-2/h13-15,18-19H,4-12H2,1-3H3
InChIKeyCVLJREZWQCPFFQ-UHFFFAOYSA-N
XLogP4.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-amine
CID 105175683
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105023057
1-(5-methoxy-3-pyridinyl)heptylhydrazine
CID 105329844
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
[3-methylsulfanyl-1-(5-propoxy-3-pyridinyl)propyl]hydrazine
CID 105330104
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-amine
CID 105027344
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine?
The IUPAC name of N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine (CID 105026682) is N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine.
What is the SMILES notation for N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine?
The canonical SMILES for N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine is CCCCCCCCC(NC)c1cncc(OCCC)c1.
What is the InChIKey of N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine?
The InChIKey is CVLJREZWQCPFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-6-7-8-9-10-11-18(19-3)16-13-17(15-20-14-16)21-12-5-2/h13-15,18-19H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine?
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.88, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine is sourced from PubChem (CID 105026682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).