N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

C13H23N3 — CID 81249829

IUPACN-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCCCCN(C)c1cc(C)ncc1CNC
InChIInChI=1S/C13H23N3/c1-5-6-7-16(4)13-8-11(2)15-10-12(13)9-14-3/h8,10,14H,5-7,9H2,1-4H3
InChIKeyIWWQTPDGKYJBLZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.35
Rot. Bonds6

About N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (PubChem CID 81249829) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
PubChem CID81249829
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCCCCN(C)c1cc(C)ncc1CNC
InChIInChI=1S/C13H23N3/c1-5-6-7-16(4)13-8-11(2)15-10-12(13)9-14-3/h8,10,14H,5-7,9H2,1-4H3
InChIKeyIWWQTPDGKYJBLZ-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-5-(methylaminomethyl)-N-(2-phenylethyl)pyridin-4-amine
CID 81247455
5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
N-(2,2-dimethylpropyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246388
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249618
N-butyl-N-methyl-4-(methylaminomethyl)pyridin-3-amine
CID 105072693
5-(ethylaminomethyl)-N-(3-methoxypropyl)-N,2-dimethylpyridin-4-amine
CID 81247424
N,N,N'-trimethyl-N'-[2-methyl-5-[(propan-2-ylamino)methyl]-4-pyridinyl]propane-1,3-diamine
CID 81247572
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 105417609
5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81238502
N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246360
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
N,2-dimethyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyridin-4-amine
CID 81246363

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The IUPAC name of N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (CID 81249829) is N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is CCCCN(C)c1cc(C)ncc1CNC.
What is the InChIKey of N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The InChIKey is IWWQTPDGKYJBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-7-16(4)13-8-11(2)15-10-12(13)9-14-3/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81249829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).