N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine

C12H18N2 — CID 79180331

IUPACN,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1cccnc1)NC
InChIInChI=1S/C12H18N2/c1-10(2)7-12(13-3)8-11-5-4-6-14-9-11/h4-6,9,12-13H,1,7-8H2,2-3H3
InChIKeySUGQVGVYVCNTNP-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.18
Rot. Bonds5

About N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine

N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine (PubChem CID 79180331) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
PubChem CID79180331
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
SMILESC=C(C)CC(Cc1cccnc1)NC
InChIInChI=1S/C12H18N2/c1-10(2)7-12(13-3)8-11-5-4-6-14-9-11/h4-6,9,12-13H,1,7-8H2,2-3H3
InChIKeySUGQVGVYVCNTNP-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.18
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

N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
1-(3,5-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62552074
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
(4-methoxyphenyl)methyl N-(4-methyl-1-pyridin-3-ylpent-4-en-2-yl)carbamate
CID 156881533
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
N,4-dimethyl-1-pyridin-3-ylheptan-2-amine
CID 62604003
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine?
The IUPAC name of N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine (CID 79180331) is N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine is C=C(C)CC(Cc1cccnc1)NC.
What is the InChIKey of N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine?
The InChIKey is SUGQVGVYVCNTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(2)7-12(13-3)8-11-5-4-6-14-9-11/h4-6,9,12-13H,1,7-8H2,2-3H3.
What are the key properties of N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine?
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine is sourced from PubChem (CID 79180331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).