N,N-dimethyl-2-pyridin-4-ylbutan-1-amine

C11H18N2 — CID 163259117

IUPACN,N-dimethyl-2-pyridin-4-ylbutan-1-amine
SMILESCCC(CN(C)C)c1ccncc1
InChIInChI=1S/C11H18N2/c1-4-10(9-13(2)3)11-5-7-12-8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyLTMGVJWKFPRYJC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds4

About N,N-dimethyl-2-pyridin-4-ylbutan-1-amine

N,N-dimethyl-2-pyridin-4-ylbutan-1-amine (PubChem CID 163259117) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-4-ylbutan-1-amine
PubChem CID163259117
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,N-dimethyl-2-pyridin-4-ylbutan-1-amine
SMILESCCC(CN(C)C)c1ccncc1
InChIInChI=1S/C11H18N2/c1-4-10(9-13(2)3)11-5-7-12-8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyLTMGVJWKFPRYJC-UHFFFAOYSA-N
XLogP2.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-4-ylbutan-1-amine?
The IUPAC name of N,N-dimethyl-2-pyridin-4-ylbutan-1-amine (CID 163259117) is N,N-dimethyl-2-pyridin-4-ylbutan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-pyridin-4-ylbutan-1-amine?
The canonical SMILES for N,N-dimethyl-2-pyridin-4-ylbutan-1-amine is CCC(CN(C)C)c1ccncc1.
What is the InChIKey of N,N-dimethyl-2-pyridin-4-ylbutan-1-amine?
The InChIKey is LTMGVJWKFPRYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10(9-13(2)3)11-5-7-12-8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-pyridin-4-ylbutan-1-amine?
N,N-dimethyl-2-pyridin-4-ylbutan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-4-ylbutan-1-amine is sourced from PubChem (CID 163259117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).