N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine

C12H21N3 — CID 107006664

IUPACN-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
SMILESC=CCCCCCNCc1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-7-8-13-9-12-10-14-15(2)11-12/h3,10-11,13H,1,4-9H2,2H3
InChIKeyHEXZQXUCZZGAHO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.26
Rot. Bonds8

About N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine

N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine (PubChem CID 107006664) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
PubChem CID107006664
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine
SMILESC=CCCCCCNCc1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-3-4-5-6-7-8-13-9-12-10-14-15(2)11-12/h3,10-11,13H,1,4-9H2,2H3
InChIKeyHEXZQXUCZZGAHO-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
N-[(1-methylpyrazol-4-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647744
N-[(1,3-dimethylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107007071
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
3-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(5-methylpyrazin-2-yl)methyl]hept-6-en-1-amine
CID 107006802
N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 107094675

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine (CID 107006664) is N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine is C=CCCCCCNCc1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine?
The InChIKey is HEXZQXUCZZGAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-6-7-8-13-9-12-10-14-15(2)11-12/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]hept-6-en-1-amine is sourced from PubChem (CID 107006664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).