(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine

C13H22N2O — CID 106452331

IUPAC(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(C)COCCN[C@@H](C)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-11(2)10-16-9-8-14-12(3)13-6-4-5-7-15-13/h4-7,11-12,14H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyFPJHZCRBYQAJFG-LBPRGKRZSA-N
MW222.33 g/mol
LogP2.40
Rot. Bonds7

About (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine

(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 106452331) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
PubChem CID106452331
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(C)COCCN[C@@H](C)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-11(2)10-16-9-8-14-12(3)13-6-4-5-7-15-13/h4-7,11-12,14H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyFPJHZCRBYQAJFG-LBPRGKRZSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxypropoxy)ethyl]-1-pyridin-2-ylethanamine
CID 103178569
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957
N'-tert-butyl-N-[(1R)-1-pyridin-2-ylethyl]ethane-1,2-diamine
CID 107445925
N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
CID 60694300
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine (CID 106452331) is (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine is CC(C)COCCN[C@@H](C)c1ccccn1.
What is the InChIKey of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is FPJHZCRBYQAJFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)10-16-9-8-14-12(3)13-6-4-5-7-15-13/h4-7,11-12,14H,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine?
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(2-methylpropoxy)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 106452331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).