1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine

C18H32N2 — CID 105014407

IUPAC1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(CC)cn1)NC
InChIInChI=1S/C18H32N2/c1-4-6-7-8-9-10-11-17(19-3)14-18-13-12-16(5-2)15-20-18/h12-13,15,17,19H,4-11,14H2,1-3H3
InChIKeyLABNRHWCKFTKRC-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.53
Rot. Bonds11

About 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine

1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine (PubChem CID 105014407) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
PubChem CID105014407
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
SMILESCCCCCCCCC(Cc1ccc(CC)cn1)NC
InChIInChI=1S/C18H32N2/c1-4-6-7-8-9-10-11-17(19-3)14-18-13-12-16(5-2)15-20-18/h12-13,15,17,19H,4-11,14H2,1-3H3
InChIKeyLABNRHWCKFTKRC-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
1-butan-2-ylsulfanyl-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79748150
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)-N-methylpropan-2-amine
CID 79732696
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-amine
CID 79748225
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine (CID 105014407) is 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine is CCCCCCCCC(Cc1ccc(CC)cn1)NC.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine?
The InChIKey is LABNRHWCKFTKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-6-7-8-9-10-11-17(19-3)14-18-13-12-16(5-2)15-20-18/h12-13,15,17,19H,4-11,14H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine?
1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine is sourced from PubChem (CID 105014407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).