molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine

C8H14N2 — CID 145190725

IUPACmolecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
SMILESCCNCc1ccncc1.[H][H]
InChIInChI=1S/C8H12N2.H2/c1-2-9-7-8-3-5-10-6-4-8;/h3-6,9H,2,7H2,1H3;1H
InChIKeyWRACFTQYMNAKIW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.44
Rot. Bonds3

About molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine

molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 145190725) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Namemolecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
PubChem CID145190725
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namemolecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
SMILESCCNCc1ccncc1.[H][H]
InChIInChI=1S/C8H12N2.H2/c1-2-9-7-8-3-5-10-6-4-8;/h3-6,9H,2,7H2,1H3;1H
InChIKeyWRACFTQYMNAKIW-UHFFFAOYSA-N
XLogP1.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
CID 70106759
N-benzylethanamine;tris(yttrium)
CID 158198357
N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
CID 121358962
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
N-(pyridazin-4-ylmethyl)ethanamine
CID 89018615
N-[[5-(pyridin-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887414
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine (CID 145190725) is molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine is CCNCc1ccncc1.[H][H].
What is the InChIKey of molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is WRACFTQYMNAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.H2/c1-2-9-7-8-3-5-10-6-4-8;/h3-6,9H,2,7H2,1H3;1H.
What are the key properties of molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine?
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 145190725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).