N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine

C13H25N3 — CID 104695096

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NCCc1ccnn1C
InChIInChI=1S/C13H25N3/c1-4-6-7-12(5-2)14-10-8-13-9-11-15-16(13)3/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyVFFPNQOCOJSQOY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.52
Rot. Bonds8

About N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine (PubChem CID 104695096) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
PubChem CID104695096
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
SMILESCCCCC(CC)NCCc1ccnn1C
InChIInChI=1S/C13H25N3/c1-4-6-7-12(5-2)14-10-8-13-9-11-15-16(13)3/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyVFFPNQOCOJSQOY-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
CID 103007279
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 106159828
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine (CID 104695096) is N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine is CCCCC(CC)NCCc1ccnn1C.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine?
The InChIKey is VFFPNQOCOJSQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-7-12(5-2)14-10-8-13-9-11-15-16(13)3/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine is sourced from PubChem (CID 104695096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).