ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine

C9H18N2 — CID 142237918

IUPACethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
SMILESCC.C[C@H](N)c1ccncc1.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c1-6(8)7-2-4-9-5-3-7;1-2;/h2-6H,8H2,1H3;1-2H3;1H/t6-;;/m0../s1
InChIKeyUGRVIARJSHUMQN-ILKKLZGPSA-N
MW154.26 g/mol
LogP2.37
Rot. Bonds1

About ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine

ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine (PubChem CID 142237918) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Nameethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
PubChem CID142237918
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
SMILESCC.C[C@H](N)c1ccncc1.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c1-6(8)7-2-4-9-5-3-7;1-2;/h2-6H,8H2,1H3;1-2H3;1H/t6-;;/m0../s1
InChIKeyUGRVIARJSHUMQN-ILKKLZGPSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1R)-1-phenylethanamine
CID 142977390
(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
4-pyridin-4-ylpentan-2-amine
CID 112714269
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
O-(1-pyridin-4-ylethyl)hydroxylamine
CID 102548796
(1R)-1-pyridazin-4-ylethanamine
CID 86332876
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine?
The IUPAC name of ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine (CID 142237918) is ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine.
What is the SMILES notation for ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine?
The canonical SMILES for ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine is CC.C[C@H](N)c1ccncc1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine?
The InChIKey is UGRVIARJSHUMQN-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H10N2.C2H6.H2/c1-6(8)7-2-4-9-5-3-7;1-2;/h2-6H,8H2,1H3;1-2H3;1H/t6-;;/m0../s1.
What are the key properties of ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine?
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine has a molecular weight of 154.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 142237918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).