N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride

C14H30Cl2N6O — CID 119571144

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)CN(C)Cc1nnc(C)n1C.Cl.Cl
InChIInChI=1S/C14H28N6O.2ClH/c1-6-14(7-2,10-15)16-13(21)9-19(4)8-12-18-17-11(3)20(12)5;;/h6-10,15H2,1-5H3,(H,16,21);2*1H
InChIKeyONIRHBVLTGYYFO-UHFFFAOYSA-N
MW369.34 g/mol
LogP1.03
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride (PubChem CID 119571144) has the molecular formula C14H30Cl2N6O and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride
PubChem CID119571144
Molecular FormulaC14H30Cl2N6O
Molecular Weight369.34 g/mol
Exact Mass368.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)CN(C)Cc1nnc(C)n1C.Cl.Cl
InChIInChI=1S/C14H28N6O.2ClH/c1-6-14(7-2,10-15)16-13(21)9-19(4)8-12-18-17-11(3)20(12)5;;/h6-10,15H2,1-5H3,(H,16,21);2*1H
InChIKeyONIRHBVLTGYYFO-UHFFFAOYSA-N
XLogP1.03
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride (CID 119571144) is N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride is CCC(CC)(CN)NC(=O)CN(C)Cc1nnc(C)n1C.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride?
The InChIKey is ONIRHBVLTGYYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O.2ClH/c1-6-14(7-2,10-15)16-13(21)9-19(4)8-12-18-17-11(3)20(12)5;;/h6-10,15H2,1-5H3,(H,16,21);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]acetamide;dihydrochloride is sourced from PubChem (CID 119571144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).