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

C11H19ClN2 — CID 171200270

IUPAC(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-2-3-4-5-11(12)10-6-8-13-9-7-10;/h6-9,11H,2-5,12H2,1H3;1H/t11-;/m1./s1
InChIKeySMNRGIIRFQNANW-RFVHGSKJSA-N
MW214.74 g/mol
LogP3.08
Rot. Bonds5

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

(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride (PubChem CID 171200270) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
PubChem CID171200270
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccncc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-2-3-4-5-11(12)10-6-8-13-9-7-10;/h6-9,11H,2-5,12H2,1H3;1H/t11-;/m1./s1
InChIKeySMNRGIIRFQNANW-RFVHGSKJSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.08
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

(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
1-phenylhexan-1-amine;hydrochloride
CID 3033249
(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
CID 171203436
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
2-pyridin-4-yldecan-3-amine
CID 66445976
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
1-phenyldecan-1-amine
CID 43175860

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride (CID 171200270) is (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccncc1.Cl.
What is the InChIKey of (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride?
The InChIKey is SMNRGIIRFQNANW-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-2-3-4-5-11(12)10-6-8-13-9-7-10;/h6-9,11H,2-5,12H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride?
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 3.08, 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;hydrochloride is sourced from PubChem (CID 171200270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).