5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine

C13H21N3 — CID 104869689

IUPAC5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
SMILESC=CCCCN(C)c1ccc([C@H](C)N)cn1
InChIInChI=1S/C13H21N3/c1-4-5-6-9-16(3)13-8-7-12(10-15-13)11(2)14/h4,7-8,10-11H,1,5-6,9,14H2,2-3H3/t11-/m0/s1
InChIKeyCLEFGYCTEVXJKO-NSHDSACASA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds6

About 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine

5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine (PubChem CID 104869689) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
PubChem CID104869689
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
SMILESC=CCCCN(C)c1ccc([C@H](C)N)cn1
InChIInChI=1S/C13H21N3/c1-4-5-6-9-16(3)13-8-7-12(10-15-13)11(2)14/h4,7-8,10-11H,1,5-6,9,14H2,2-3H3/t11-/m0/s1
InChIKeyCLEFGYCTEVXJKO-NSHDSACASA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-methyl-N-pent-4-enylpyrazin-2-amine
CID 107380878
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 104869537
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
CID 104869719
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
CID 107200886
(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
CID 104869711
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863989
1-(6-ethenyl-3-pyridinyl)ethanamine
CID 74788745
5-[(1S)-1-aminopropyl]-N-ethyl-N-methylpyridin-2-amine
CID 124502810
2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline
CID 114058799
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-pent-4-enylaniline
CID 104869696
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine?
The IUPAC name of 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine (CID 104869689) is 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine is C=CCCCN(C)c1ccc([C@H](C)N)cn1.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine?
The InChIKey is CLEFGYCTEVXJKO-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3/c1-4-5-6-9-16(3)13-8-7-12(10-15-13)11(2)14/h4,7-8,10-11H,1,5-6,9,14H2,2-3H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine?
5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine is sourced from PubChem (CID 104869689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).