(1R)-1-pyridin-4-ylhexan-1-amine

C11H18N2 — CID 94506997

IUPAC(1R)-1-pyridin-4-ylhexan-1-amine
SMILESCCCCC[C@@H](N)c1ccncc1
InChIInChI=1S/C11H18N2/c1-2-3-4-5-11(12)10-6-8-13-9-7-10/h6-9,11H,2-5,12H2,1H3/t11-/m1/s1
InChIKeyDDBAHZBMYJZLGA-LLVKDONJSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds5

About (1R)-1-pyridin-4-ylhexan-1-amine

(1R)-1-pyridin-4-ylhexan-1-amine (PubChem CID 94506997) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1R)-1-pyridin-4-ylhexan-1-amine.

Molecular Properties

Compound Name(1R)-1-pyridin-4-ylhexan-1-amine
PubChem CID94506997
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1R)-1-pyridin-4-ylhexan-1-amine
SMILESCCCCC[C@@H](N)c1ccncc1
InChIInChI=1S/C11H18N2/c1-2-3-4-5-11(12)10-6-8-13-9-7-10/h6-9,11H,2-5,12H2,1H3/t11-/m1/s1
InChIKeyDDBAHZBMYJZLGA-LLVKDONJSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
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-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
2-pyridin-4-yldecan-3-amine
CID 66445976
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-pyridin-4-yltridecan-1-ol
CID 63410309

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-4-ylhexan-1-amine?
The IUPAC name of (1R)-1-pyridin-4-ylhexan-1-amine (CID 94506997) is (1R)-1-pyridin-4-ylhexan-1-amine.
What is the SMILES notation for (1R)-1-pyridin-4-ylhexan-1-amine?
The canonical SMILES for (1R)-1-pyridin-4-ylhexan-1-amine is CCCCC[C@@H](N)c1ccncc1.
What is the InChIKey of (1R)-1-pyridin-4-ylhexan-1-amine?
The InChIKey is DDBAHZBMYJZLGA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-4-5-11(12)10-6-8-13-9-7-10/h6-9,11H,2-5,12H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-pyridin-4-ylhexan-1-amine?
(1R)-1-pyridin-4-ylhexan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-4-ylhexan-1-amine is sourced from PubChem (CID 94506997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).