N-(2-pyridin-3-ylethyl)octan-2-amine

C15H26N2 — CID 60914592

IUPACN-(2-pyridin-3-ylethyl)octan-2-amine
SMILESCCCCCCC(C)NCCc1cccnc1
InChIInChI=1S/C15H26N2/c1-3-4-5-6-8-14(2)17-12-10-15-9-7-11-16-13-15/h7,9,11,13-14,17H,3-6,8,10,12H2,1-2H3
InChIKeyQBEZPNHKKRFQDV-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.57
Rot. Bonds9

About N-(2-pyridin-3-ylethyl)octan-2-amine

N-(2-pyridin-3-ylethyl)octan-2-amine (PubChem CID 60914592) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)octan-2-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)octan-2-amine
PubChem CID60914592
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(2-pyridin-3-ylethyl)octan-2-amine
SMILESCCCCCCC(C)NCCc1cccnc1
InChIInChI=1S/C15H26N2/c1-3-4-5-6-8-14(2)17-12-10-15-9-7-11-16-13-15/h7,9,11,13-14,17H,3-6,8,10,12H2,1-2H3
InChIKeyQBEZPNHKKRFQDV-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.57
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

N-ethyl-1-pyridin-3-yldecan-3-amine
CID 105125052
1-pyridin-3-ylundecan-3-ol
CID 105085819
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
1-pyridin-3-ylnonan-3-ylhydrazine
CID 105294051
N-methyl-6-pyridin-3-ylhexan-2-amine
CID 18177774
1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 63264733
3-(9-methyldodecyl)pyridine
CID 91204403
3-(2-hexyloctyl)pyridine
CID 167277838
3-(14-methylpentadecyl)pyridine
CID 19697272
1-pyridin-3-ylundecan-2-amine
CID 62603230
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)octan-2-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)octan-2-amine (CID 60914592) is N-(2-pyridin-3-ylethyl)octan-2-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)octan-2-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)octan-2-amine is CCCCCCC(C)NCCc1cccnc1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)octan-2-amine?
The InChIKey is QBEZPNHKKRFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-4-5-6-8-14(2)17-12-10-15-9-7-11-16-13-15/h7,9,11,13-14,17H,3-6,8,10,12H2,1-2H3.
What are the key properties of N-(2-pyridin-3-ylethyl)octan-2-amine?
N-(2-pyridin-3-ylethyl)octan-2-amine has a molecular weight of 234.39 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)octan-2-amine is sourced from PubChem (CID 60914592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).