2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine

C16H31N3 — CID 115815634

IUPAC2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cnn(CC)c1
InChIInChI=1S/C16H31N3/c1-5-9-10-14(7-3)16(17-11-6-2)15-12-18-19(8-4)13-15/h12-14,16-17H,5-11H2,1-4H3
InChIKeyIAAGPXUFAMWIHA-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.16
Rot. Bonds10

About 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine

2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine (PubChem CID 115815634) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
PubChem CID115815634
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1cnn(CC)c1
InChIInChI=1S/C16H31N3/c1-5-9-10-14(7-3)16(17-11-6-2)15-12-18-19(8-4)13-15/h12-14,16-17H,5-11H2,1-4H3
InChIKeyIAAGPXUFAMWIHA-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine (CID 115815634) is 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine is CCCCC(CC)C(NCCC)c1cnn(CC)c1.
What is the InChIKey of 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine?
The InChIKey is IAAGPXUFAMWIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-9-10-14(7-3)16(17-11-6-2)15-12-18-19(8-4)13-15/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine?
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 115815634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).