2-methyl-5-pyridin-4-ylpent-1-en-3-amine

C11H16N2 — CID 105163804

IUPAC2-methyl-5-pyridin-4-ylpent-1-en-3-amine
SMILESC=C(C)C(N)CCc1ccncc1
InChIInChI=1S/C11H16N2/c1-9(2)11(12)4-3-10-5-7-13-8-6-10/h5-8,11H,1,3-4,12H2,2H3
InChIKeyUDTOEXPTOOVSCU-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.92
Rot. Bonds4

About 2-methyl-5-pyridin-4-ylpent-1-en-3-amine

2-methyl-5-pyridin-4-ylpent-1-en-3-amine (PubChem CID 105163804) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-methyl-5-pyridin-4-ylpent-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-5-pyridin-4-ylpent-1-en-3-amine
PubChem CID105163804
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-methyl-5-pyridin-4-ylpent-1-en-3-amine
SMILESC=C(C)C(N)CCc1ccncc1
InChIInChI=1S/C11H16N2/c1-9(2)11(12)4-3-10-5-7-13-8-6-10/h5-8,11H,1,3-4,12H2,2H3
InChIKeyUDTOEXPTOOVSCU-UHFFFAOYSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.92
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

5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
1-pyridin-4-ylhexan-3-amine
CID 105080578
N,6-dimethyl-1-pyridin-4-ylhept-6-en-3-amine
CID 105182482
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
1-pyridin-4-ylhex-5-en-3-amine
CID 105108635
S-methyl (2S)-2-amino-3-pyridin-4-ylpropanethioate
CID 167273372
methyl 2-amino-5-pyridin-4-ylpentanoate
CID 116851646
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
4-amino-5-oxo-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 64890850
4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine
CID 143093265
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-4-ylpent-1-en-3-amine?
The IUPAC name of 2-methyl-5-pyridin-4-ylpent-1-en-3-amine (CID 105163804) is 2-methyl-5-pyridin-4-ylpent-1-en-3-amine.
What is the SMILES notation for 2-methyl-5-pyridin-4-ylpent-1-en-3-amine?
The canonical SMILES for 2-methyl-5-pyridin-4-ylpent-1-en-3-amine is C=C(C)C(N)CCc1ccncc1.
What is the InChIKey of 2-methyl-5-pyridin-4-ylpent-1-en-3-amine?
The InChIKey is UDTOEXPTOOVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)11(12)4-3-10-5-7-13-8-6-10/h5-8,11H,1,3-4,12H2,2H3.
What are the key properties of 2-methyl-5-pyridin-4-ylpent-1-en-3-amine?
2-methyl-5-pyridin-4-ylpent-1-en-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-4-ylpent-1-en-3-amine is sourced from PubChem (CID 105163804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).