N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine

C14H27N3 — CID 79578441

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cnn(C)c1C
InChIInChI=1S/C14H27N3/c1-5-7-8-13(6-2)9-15-10-14-11-16-17(4)12(14)3/h11,13,15H,5-10H2,1-4H3
InChIKeyAIIZRDWQYCZOFU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.03
Rot. Bonds8

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine (PubChem CID 79578441) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
PubChem CID79578441
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cnn(C)c1C
InChIInChI=1S/C14H27N3/c1-5-7-8-13(6-2)9-15-10-14-11-16-17(4)12(14)3/h11,13,15H,5-10H2,1-4H3
InChIKeyAIIZRDWQYCZOFU-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
CID 55027033
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
CID 104627896
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine (CID 79578441) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine?
The InChIKey is AIIZRDWQYCZOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-8-13(6-2)9-15-10-14-11-16-17(4)12(14)3/h11,13,15H,5-10H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 79578441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).