N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride

C17H32Cl2N4O — CID 119612567

IUPACN-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC1CCCCC1CN.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-11(9-15-12(2)20-21(4)13(15)3)17(22)19-16-8-6-5-7-14(16)10-18;;/h11,14,16H,5-10,18H2,1-4H3,(H,19,22);2*1H
InChIKeyJZELTKUZAKBWRO-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride (PubChem CID 119612567) has the molecular formula C17H32Cl2N4O and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
PubChem CID119612567
Molecular FormulaC17H32Cl2N4O
Molecular Weight379.38 g/mol
Exact Mass378.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC1CCCCC1CN.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-11(9-15-12(2)20-21(4)13(15)3)17(22)19-16-8-6-5-7-14(16)10-18;;/h11,14,16H,5-10,18H2,1-4H3,(H,19,22);2*1H
InChIKeyJZELTKUZAKBWRO-UHFFFAOYSA-N
XLogP2.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride (CID 119612567) is N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride is Cc1nn(C)c(C)c1CC(C)C(=O)NC1CCCCC1CN.Cl.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
The InChIKey is JZELTKUZAKBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.2ClH/c1-11(9-15-12(2)20-21(4)13(15)3)17(22)19-16-8-6-5-7-14(16)10-18;;/h11,14,16H,5-10,18H2,1-4H3,(H,19,22);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride has a molecular weight of 379.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119612567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).