4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine

C13H25N3 — CID 115888843

IUPAC4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
SMILESCCCC(C)C(CC)NCCn1cccn1
InChIInChI=1S/C13H25N3/c1-4-7-12(3)13(5-2)14-9-11-16-10-6-8-15-16/h6,8,10,12-14H,4-5,7,9,11H2,1-3H3
InChIKeyRWFOHOMPVSCBJC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.69
Rot. Bonds8

About 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine

4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine (PubChem CID 115888843) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine.

Molecular Properties

Compound Name4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
PubChem CID115888843
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
SMILESCCCC(C)C(CC)NCCn1cccn1
InChIInChI=1S/C13H25N3/c1-4-7-12(3)13(5-2)14-9-11-16-10-6-8-15-16/h6,8,10,12-14H,4-5,7,9,11H2,1-3H3
InChIKeyRWFOHOMPVSCBJC-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine
CID 106230031
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine?
The IUPAC name of 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine (CID 115888843) is 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine.
What is the SMILES notation for 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine?
The canonical SMILES for 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine is CCCC(C)C(CC)NCCn1cccn1.
What is the InChIKey of 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine?
The InChIKey is RWFOHOMPVSCBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-7-12(3)13(5-2)14-9-11-16-10-6-8-15-16/h6,8,10,12-14H,4-5,7,9,11H2,1-3H3.
What are the key properties of 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine?
4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine is sourced from PubChem (CID 115888843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).