N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine

C12H17N3 — CID 81406115

IUPACN-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESC[C@H](NC1=NCCCC1)c1ccncc1
InChIInChI=1S/C12H17N3/c1-10(11-5-8-13-9-6-11)15-12-4-2-3-7-14-12/h5-6,8-10H,2-4,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyQEASGFUHBNGERE-JTQLQIEISA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds2

About N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 81406115) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID81406115
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESC[C@H](NC1=NCCCC1)c1ccncc1
InChIInChI=1S/C12H17N3/c1-10(11-5-8-13-9-6-11)15-12-4-2-3-7-14-12/h5-6,8-10H,2-4,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyQEASGFUHBNGERE-JTQLQIEISA-N
XLogP2.31
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81356897
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81347228
N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508912
N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79508036
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81397062
N-[1-[4-(3-phenylpropoxy)phenyl]ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 13012151
5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035697
N-(1-chloroethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 21397100
4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol
CID 79504547

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 81406115) is N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine is C[C@H](NC1=NCCCC1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is QEASGFUHBNGERE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3/c1-10(11-5-8-13-9-6-11)15-12-4-2-3-7-14-12/h5-6,8-10H,2-4,7H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 203.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 81406115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).