4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine

C14H25N3 — CID 113381289

IUPAC4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine
SMILESCCCCN(C)c1cc(CN)cc(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-5-6-7-17(4)14-9-12(10-15)8-13(16-14)11(2)3/h8-9,11H,5-7,10,15H2,1-4H3
InChIKeyZEBVPQDKTPQLLK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds6

About 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine

4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine (PubChem CID 113381289) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine
PubChem CID113381289
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine
SMILESCCCCN(C)c1cc(CN)cc(C(C)C)n1
InChIInChI=1S/C14H25N3/c1-5-6-7-17(4)14-9-12(10-15)8-13(16-14)11(2)3/h8-9,11H,5-7,10,15H2,1-4H3
InChIKeyZEBVPQDKTPQLLK-UHFFFAOYSA-N
XLogP2.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N,N-dimethyl-6-propan-2-ylpyridin-2-amine
CID 165411396
4-(aminomethyl)-N-butyl-N,6-diethylpyridin-2-amine
CID 113381293
N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80969280
N'-methyl-N'-(2-methyl-6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83834295
4-(chloromethyl)-N-methyl-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113380762
4-N-butyl-4-N-methylpyrimidine-2,4,6-triamine
CID 78982418
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine
CID 113380652
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
2-N-methyl-2-N-pentylpyrazine-2,5-diamine
CID 80653265
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
[2-(3,4-dimethylpyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381419

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine (CID 113381289) is 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine is CCCCN(C)c1cc(CN)cc(C(C)C)n1.
What is the InChIKey of 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine?
The InChIKey is ZEBVPQDKTPQLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-7-17(4)14-9-12(10-15)8-13(16-14)11(2)3/h8-9,11H,5-7,10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine?
4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butyl-N-methyl-6-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 113381289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).