3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine

C12H21N3 — CID 115891758

IUPAC3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1cn[nH]c1C
InChIInChI=1S/C12H21N3/c1-5-6-9(2)10(3)13-7-12-8-14-15-11(12)4/h5,8-10,13H,1,6-7H2,2-4H3,(H,14,15)
InChIKeyIDZWHAYWIMJMLV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.41
Rot. Bonds6

About 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine

3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine (PubChem CID 115891758) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine
PubChem CID115891758
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine
SMILESC=CCC(C)C(C)NCc1cn[nH]c1C
InChIInChI=1S/C12H21N3/c1-5-6-9(2)10(3)13-7-12-8-14-15-11(12)4/h5,8-10,13H,1,6-7H2,2-4H3,(H,14,15)
InChIKeyIDZWHAYWIMJMLV-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
CID 115891206
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine
CID 115891754
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 63379064
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
1-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663590
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
N-[(5-chloro-2-pyridinyl)methyl]-3-methylhex-5-en-2-amine
CID 115906693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine (CID 115891758) is 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine is C=CCC(C)C(C)NCc1cn[nH]c1C.
What is the InChIKey of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine?
The InChIKey is IDZWHAYWIMJMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-9(2)10(3)13-7-12-8-14-15-11(12)4/h5,8-10,13H,1,6-7H2,2-4H3,(H,14,15).
What are the key properties of 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine?
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 115891758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).