1-butyl-N,N-dimethyl-2H-pyridin-4-amine

C11H20N2 — CID 23048244

IUPAC1-butyl-N,N-dimethyl-2H-pyridin-4-amine
SMILESCCCCN1C=CC(N(C)C)=CC1
InChIInChI=1S/C11H20N2/c1-4-5-8-13-9-6-11(7-10-13)12(2)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyAVFQTGVDWLOSDJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.06
Rot. Bonds4

About 1-butyl-N,N-dimethyl-2H-pyridin-4-amine

1-butyl-N,N-dimethyl-2H-pyridin-4-amine (PubChem CID 23048244) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-butyl-N,N-dimethyl-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-butyl-N,N-dimethyl-2H-pyridin-4-amine
PubChem CID23048244
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-butyl-N,N-dimethyl-2H-pyridin-4-amine
SMILESCCCCN1C=CC(N(C)C)=CC1
InChIInChI=1S/C11H20N2/c1-4-5-8-13-9-6-11(7-10-13)12(2)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyAVFQTGVDWLOSDJ-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyano-4-dimethylaminopyridine
CID 17889658
n-Butylpyridine
CID 17938176
N-isopropylpyridine
CID 18505181
1-Butyl-1-methylpyridinium chloride
CID 19979781
6-ethenyl-1-methyl-2H-pyridine
CID 22719088
2,12-Bis(dimethylamino)-7,8-dihydro-6H-dipyrido[1,2-a:2 inverted exclamation marka,1 inverted exclamation marka-c][1,4]diazepine
CID 25105152
3-Methyl-1-butylpyridine
CID 66729190
1-butyl-4-pyrrolidin-1-yl-2H-pyridine
CID 132276186
1-Butyl-pyridine hydrochloride
CID 141072734
N-pentyl-4-pyrrolidinopyridine
CID 132277510
N,N-diethylcyclooctatetraenamine
CID 134994848
2-[4-(dimethylamino)-1-methyl-2-pyridinylidene]-N,N,1-trimethylpyridin-4-amine
CID 135039001

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N-dimethyl-2H-pyridin-4-amine?
The IUPAC name of 1-butyl-N,N-dimethyl-2H-pyridin-4-amine (CID 23048244) is 1-butyl-N,N-dimethyl-2H-pyridin-4-amine.
What is the SMILES notation for 1-butyl-N,N-dimethyl-2H-pyridin-4-amine?
The canonical SMILES for 1-butyl-N,N-dimethyl-2H-pyridin-4-amine is CCCCN1C=CC(N(C)C)=CC1.
What is the InChIKey of 1-butyl-N,N-dimethyl-2H-pyridin-4-amine?
The InChIKey is AVFQTGVDWLOSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-8-13-9-6-11(7-10-13)12(2)3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 1-butyl-N,N-dimethyl-2H-pyridin-4-amine?
1-butyl-N,N-dimethyl-2H-pyridin-4-amine has a molecular weight of 180.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N-dimethyl-2H-pyridin-4-amine is sourced from PubChem (CID 23048244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).