N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine

C13H20N2 — CID 114472474

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
SMILESC=C(C)CCNCc1ncccc1CC
InChIInChI=1S/C13H20N2/c1-4-12-6-5-8-15-13(12)10-14-9-7-11(2)3/h5-6,8,14H,2,4,7,9-10H2,1,3H3
InChIKeyKDACQOYJZPGLGM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.70
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine

N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine (PubChem CID 114472474) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
PubChem CID114472474
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
SMILESC=C(C)CCNCc1ncccc1CC
InChIInChI=1S/C13H20N2/c1-4-12-6-5-8-15-13(12)10-14-9-7-11(2)3/h5-6,8,14H,2,4,7,9-10H2,1,3H3
InChIKeyKDACQOYJZPGLGM-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
2,3-diethylpyridine
CID 14747123
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
CID 82738388
1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82737650
cobalt(2+);N-[[3-[(2,6-diethylanilino)methyl]-2-pyridinyl]methyl]-N'-(2,6-diethylphenyl)ethane-1,2-diamine;dichloride
CID 18441572
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(2-fluorophenyl)methyl]-3-methylbut-3-en-1-amine
CID 114471961
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 114472266

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine (CID 114472474) is N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine is C=C(C)CCNCc1ncccc1CC.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine?
The InChIKey is KDACQOYJZPGLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-12-6-5-8-15-13(12)10-14-9-7-11(2)3/h5-6,8,14H,2,4,7,9-10H2,1,3H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine is sourced from PubChem (CID 114472474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).