6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine

C13H26N2 — CID 114410592

IUPAC6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine
SMILESCCC(CCN)CCCN1CC=CCC1
InChIInChI=1S/C13H26N2/c1-2-13(8-9-14)7-6-12-15-10-4-3-5-11-15/h3-4,13H,2,5-12,14H2,1H3
InChIKeyQUHCBHOHZUCMON-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.40
Rot. Bonds7

About 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine

6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine (PubChem CID 114410592) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine
PubChem CID114410592
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine
SMILESCCC(CCN)CCCN1CC=CCC1
InChIInChI=1S/C13H26N2/c1-2-13(8-9-14)7-6-12-15-10-4-3-5-11-15/h3-4,13H,2,5-12,14H2,1H3
InChIKeyQUHCBHOHZUCMON-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410622
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 114412953
1-(2-ethylbutyl)-2,3,6,7-tetrahydroazepine
CID 145001252
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
CID 114460413
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethylhexan-1-amine
CID 82750118
(3R)-3-ethylnonan-1-amine
CID 163925868
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine
CID 114410673
6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine
CID 79170128
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
1-[3-[3-[3-(3,6-dihydro-2H-pyridin-1-yl)propyl]imidazolidin-1-yl]propyl]azepane
CID 69465520
1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
CID 54327402

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine?
The IUPAC name of 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine (CID 114410592) is 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine is CCC(CCN)CCCN1CC=CCC1.
What is the InChIKey of 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine?
The InChIKey is QUHCBHOHZUCMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-13(8-9-14)7-6-12-15-10-4-3-5-11-15/h3-4,13H,2,5-12,14H2,1H3.
What are the key properties of 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine?
6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine is sourced from PubChem (CID 114410592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).