N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine

C13H25N3 — CID 103014306

IUPACN,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
SMILESCNCC(CCc1ccnn1C)CC(C)C
InChIInChI=1S/C13H25N3/c1-11(2)9-12(10-14-3)5-6-13-7-8-15-16(13)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyIOUBWNOPCPWSAU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.23
Rot. Bonds7

About N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine

N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine (PubChem CID 103014306) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
PubChem CID103014306
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
SMILESCNCC(CCc1ccnn1C)CC(C)C
InChIInChI=1S/C13H25N3/c1-11(2)9-12(10-14-3)5-6-13-7-8-15-16(13)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyIOUBWNOPCPWSAU-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-4-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014550
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
CID 103019834
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
5-(5-bromo-3-methylhexyl)-1-methylpyrazole
CID 103016082
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The IUPAC name of N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine (CID 103014306) is N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The canonical SMILES for N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine is CNCC(CCc1ccnn1C)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The InChIKey is IOUBWNOPCPWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(2)9-12(10-14-3)5-6-13-7-8-15-16(13)4/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 103014306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).