5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine

C14H25N3 — CID 55000369

IUPAC5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
SMILESCCCCN(c1ccc(CN)cn1)C(C)CC
InChIInChI=1S/C14H25N3/c1-4-6-9-17(12(3)5-2)14-8-7-13(10-15)11-16-14/h7-8,11-12H,4-6,9-10,15H2,1-3H3
InChIKeyIFNOYFUCXIAFSO-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.95
Rot. Bonds7

About 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine

5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine (PubChem CID 55000369) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
PubChem CID55000369
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
SMILESCCCCN(c1ccc(CN)cn1)C(C)CC
InChIInChI=1S/C14H25N3/c1-4-6-9-17(12(3)5-2)14-8-7-13(10-15)11-16-14/h7-8,11-12H,4-6,9-10,15H2,1-3H3
InChIKeyIFNOYFUCXIAFSO-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
2-Aminopyridine
CID 10439
2-Amino-4-methylpyridine
CID 1533
Tripelennamine Hydrochloride
CID 9066
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
2-Dimethylaminopyridine
CID 21885
2-Pyridinamine, N-methyl-
CID 20727

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine (CID 55000369) is 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine is CCCCN(c1ccc(CN)cn1)C(C)CC.
What is the InChIKey of 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine?
The InChIKey is IFNOYFUCXIAFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-6-9-17(12(3)5-2)14-8-7-13(10-15)11-16-14/h7-8,11-12H,4-6,9-10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine?
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine is sourced from PubChem (CID 55000369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).