N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine

C12H21N3 — CID 103012216

IUPACN-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
SMILESC=CCC(CCc1cnn(C)c1)NCC
InChIInChI=1S/C12H21N3/c1-4-6-12(13-5-2)8-7-11-9-14-15(3)10-11/h4,9-10,12-13H,1,5-8H2,2-3H3
InChIKeyUQYRLIUZUWSTEA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.91
Rot. Bonds7

About N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine

N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine (PubChem CID 103012216) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
PubChem CID103012216
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
SMILESC=CCC(CCc1cnn(C)c1)NCC
InChIInChI=1S/C12H21N3/c1-4-6-12(13-5-2)8-7-11-9-14-15(3)10-11/h4,9-10,12-13H,1,5-8H2,2-3H3
InChIKeyUQYRLIUZUWSTEA-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrazol-4-yl)hex-5-en-3-ylhydrazine
CID 103027060
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(thian-4-yl)butan-2-amine
CID 103030225
N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine
CID 116660539
N-ethyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-amine
CID 103009231
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine (CID 103012216) is N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine is C=CCC(CCc1cnn(C)c1)NCC.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine?
The InChIKey is UQYRLIUZUWSTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-12(13-5-2)8-7-11-9-14-15(3)10-11/h4,9-10,12-13H,1,5-8H2,2-3H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine?
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine has a molecular weight of 207.32 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine is sourced from PubChem (CID 103012216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).