N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine

C13H20N2 — CID 79190966

IUPACN-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1ccncc1
InChIInChI=1S/C13H20N2/c1-4-15-13(9-11(2)3)10-12-5-7-14-8-6-12/h5-9,13,15H,4,10H2,1-3H3
InChIKeyRHKISVRXWZSXIU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine

N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine (PubChem CID 79190966) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
PubChem CID79190966
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1ccncc1
InChIInChI=1S/C13H20N2/c1-4-15-13(9-11(2)3)10-12-5-7-14-8-6-12/h5-9,13,15H,4,10H2,1-3H3
InChIKeyRHKISVRXWZSXIU-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 79190086
1-(3,4-difluorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 105004706
4-methyl-1-(4-methylphenyl)-N-propylpent-3-en-2-amine
CID 79191073
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
CID 79190171
N-ethyl-3-methyl-1-pyridin-4-ylheptan-2-amine
CID 114246475
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091
4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine
CID 105163342
N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine
CID 103312085
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine (CID 79190966) is N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine is CCNC(C=C(C)C)Cc1ccncc1.
What is the InChIKey of N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine?
The InChIKey is RHKISVRXWZSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-15-13(9-11(2)3)10-12-5-7-14-8-6-12/h5-9,13,15H,4,10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine?
N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine is sourced from PubChem (CID 79190966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).