N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine

C13H25N3 — CID 115895160

IUPACN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NCCc1cn(C)nc1C
InChIInChI=1S/C13H25N3/c1-5-6-7-11(2)14-9-8-13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyOASKTCOFQRNPRR-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.44
Rot. Bonds7

About N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine

N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine (PubChem CID 115895160) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine
PubChem CID115895160
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine
SMILESCCCCC(C)NCCc1cn(C)nc1C
InChIInChI=1S/C13H25N3/c1-5-6-7-11(2)14-9-8-13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyOASKTCOFQRNPRR-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 83094527
1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115895156
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115757239
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]heptan-2-amine
CID 83086754
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115751852
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115897313
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine?
The IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine (CID 115895160) is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine.
What is the SMILES notation for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine?
The canonical SMILES for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine is CCCCC(C)NCCc1cn(C)nc1C.
What is the InChIKey of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine?
The InChIKey is OASKTCOFQRNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-7-11(2)14-9-8-13-10-16(4)15-12(13)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine?
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 115895160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).