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

C13H25N3 — CID 103014491

IUPACN,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
SMILESCCCC(C)(CCc1ccnn1C)CNC
InChIInChI=1S/C13H25N3/c1-5-8-13(2,11-14-3)9-6-12-7-10-15-16(12)4/h7,10,14H,5-6,8-9,11H2,1-4H3
InChIKeyTUODXRUJBSNQRL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds7

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

N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine (PubChem CID 103014491) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
PubChem CID103014491
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
SMILESCCCC(C)(CCc1ccnn1C)CNC
InChIInChI=1S/C13H25N3/c1-5-8-13(2,11-14-3)9-6-12-7-10-15-16(12)4/h7,10,14H,5-6,8-9,11H2,1-4H3
InChIKeyTUODXRUJBSNQRL-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014546
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 83182602
2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 65491899
N-methyl-1-[2-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methanamine
CID 103015761
5-[3-(bromomethyl)-3-ethylheptyl]-1-methylpyrazole
CID 103018409

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The IUPAC name of N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine (CID 103014491) is N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine is CCCC(C)(CCc1ccnn1C)CNC.
What is the InChIKey of N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
The InChIKey is TUODXRUJBSNQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-8-13(2,11-14-3)9-6-12-7-10-15-16(12)4/h7,10,14H,5-6,8-9,11H2,1-4H3.
What are the key properties of N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine?
N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 103014491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).