N,N-dimethyl-1-octyl-2H-pyridin-4-amine

C15H28N2 — CID 23048236

IUPACN,N-dimethyl-1-octyl-2H-pyridin-4-amine
SMILESCCCCCCCCN1C=CC(N(C)C)=CC1
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-12-17-13-10-15(11-14-17)16(2)3/h10-11,13H,4-9,12,14H2,1-3H3
InChIKeyZOTDNDFSPQYKLY-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.62
Rot. Bonds8

About N,N-dimethyl-1-octyl-2H-pyridin-4-amine

N,N-dimethyl-1-octyl-2H-pyridin-4-amine (PubChem CID 23048236) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N,N-dimethyl-1-octyl-2H-pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-octyl-2H-pyridin-4-amine
PubChem CID23048236
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN,N-dimethyl-1-octyl-2H-pyridin-4-amine
SMILESCCCCCCCCN1C=CC(N(C)C)=CC1
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-12-17-13-10-15(11-14-17)16(2)3/h10-11,13H,4-9,12,14H2,1-3H3
InChIKeyZOTDNDFSPQYKLY-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-octyl-2H-pyridin-4-amine?
The IUPAC name of N,N-dimethyl-1-octyl-2H-pyridin-4-amine (CID 23048236) is N,N-dimethyl-1-octyl-2H-pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-octyl-2H-pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-1-octyl-2H-pyridin-4-amine is CCCCCCCCN1C=CC(N(C)C)=CC1.
What is the InChIKey of N,N-dimethyl-1-octyl-2H-pyridin-4-amine?
The InChIKey is ZOTDNDFSPQYKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-5-6-7-8-9-12-17-13-10-15(11-14-17)16(2)3/h10-11,13H,4-9,12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-octyl-2H-pyridin-4-amine?
N,N-dimethyl-1-octyl-2H-pyridin-4-amine has a molecular weight of 236.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-octyl-2H-pyridin-4-amine is sourced from PubChem (CID 23048236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).