N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride

C11H20Cl3N3 — CID 146064325

IUPACN-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
SMILESCCN(Cc1ccncc1)C1CNC1.Cl.Cl.Cl
InChIInChI=1S/C11H17N3.3ClH/c1-2-14(11-7-13-8-11)9-10-3-5-12-6-4-10;;;/h3-6,11,13H,2,7-9H2,1H3;3*1H
InChIKeyLAVPQYFKIMDHDB-UHFFFAOYSA-N
MW300.66 g/mol
LogP2.14
Rot. Bonds4

About N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride

N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride (PubChem CID 146064325) has the molecular formula C11H20Cl3N3 and a molecular weight of 300.66 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
PubChem CID146064325
Molecular FormulaC11H20Cl3N3
Molecular Weight300.66 g/mol
Exact Mass299.07
IUPAC NameN-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
SMILESCCN(Cc1ccncc1)C1CNC1.Cl.Cl.Cl
InChIInChI=1S/C11H17N3.3ClH/c1-2-14(11-7-13-8-11)9-10-3-5-12-6-4-10;;;/h3-6,11,13H,2,7-9H2,1H3;3*1H
InChIKeyLAVPQYFKIMDHDB-UHFFFAOYSA-N
XLogP2.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-pyridin-4-ylethyl)azetidin-3-amine
CID 66183855
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
N-[(4-bromo-3-fluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 81437386
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734522
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
N-ethyl-N-[(5-ethylthiophen-2-yl)methyl]azetidin-3-amine
CID 66184438

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride?
The IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride (CID 146064325) is N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride.
What is the SMILES notation for N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride?
The canonical SMILES for N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride is CCN(Cc1ccncc1)C1CNC1.Cl.Cl.Cl.
What is the InChIKey of N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride?
The InChIKey is LAVPQYFKIMDHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.3ClH/c1-2-14(11-7-13-8-11)9-10-3-5-12-6-4-10;;;/h3-6,11,13H,2,7-9H2,1H3;3*1H.
What are the key properties of N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride?
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride has a molecular weight of 300.66 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride is sourced from PubChem (CID 146064325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).