2-pyridin-3-yloctan-2-amine

C13H22N2 — CID 174517914

IUPAC2-pyridin-3-yloctan-2-amine
SMILESCCCCCCC(C)(N)c1cccnc1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-9-13(2,14)12-8-7-10-15-11-12/h7-8,10-11H,3-6,9,14H2,1-2H3
InChIKeyRHZDXNZXGZMLTC-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.23
Rot. Bonds6

About 2-pyridin-3-yloctan-2-amine

2-pyridin-3-yloctan-2-amine (PubChem CID 174517914) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-pyridin-3-yloctan-2-amine.

Molecular Properties

Compound Name2-pyridin-3-yloctan-2-amine
PubChem CID174517914
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-pyridin-3-yloctan-2-amine
SMILESCCCCCCC(C)(N)c1cccnc1
InChIInChI=1S/C13H22N2/c1-3-4-5-6-9-13(2,14)12-8-7-10-15-11-12/h7-8,10-11H,3-6,9,14H2,1-2H3
InChIKeyRHZDXNZXGZMLTC-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.23
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

3-(2-methyloctan-2-yl)pyridine
CID 126558457
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2-phenyldecan-2-amine
CID 63408050
2-phenylicosan-2-amine;hydrochloride
CID 173065845
3-(5-methylnonan-5-yl)pyridine
CID 139543665
3-(2,13,13-trimethyltetradecan-2-yl)pyridine
CID 126684092
(2S)-2-phenylhexan-2-amine
CID 10889241
2-ethynyl-2-pyridin-3-yloctanenitrile
CID 141123044
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
1,1-diphenyldodecan-1-amine
CID 19925745
3-octadecoxypyridine
CID 175800212
17-ethyl-17-pyridin-3-yltritriacontane-16,18-dione
CID 173099527

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloctan-2-amine?
The IUPAC name of 2-pyridin-3-yloctan-2-amine (CID 174517914) is 2-pyridin-3-yloctan-2-amine.
What is the SMILES notation for 2-pyridin-3-yloctan-2-amine?
The canonical SMILES for 2-pyridin-3-yloctan-2-amine is CCCCCCC(C)(N)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yloctan-2-amine?
The InChIKey is RHZDXNZXGZMLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-5-6-9-13(2,14)12-8-7-10-15-11-12/h7-8,10-11H,3-6,9,14H2,1-2H3.
What are the key properties of 2-pyridin-3-yloctan-2-amine?
2-pyridin-3-yloctan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloctan-2-amine is sourced from PubChem (CID 174517914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).