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

C13H23N3 — CID 115891754

IUPAC6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1cn[nH]c1C
InChIInChI=1S/C13H23N3/c1-10(2)6-5-7-11(3)14-8-13-9-15-16-12(13)4/h6,9,11,14H,5,7-8H2,1-4H3,(H,15,16)
InChIKeyWHTOXCRDAPLMLC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.94
Rot. Bonds6

About 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine

6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine (PubChem CID 115891754) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine
PubChem CID115891754
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCc1cn[nH]c1C
InChIInChI=1S/C13H23N3/c1-10(2)6-5-7-11(3)14-8-13-9-15-16-12(13)4/h6,9,11,14H,5,7-8H2,1-4H3,(H,15,16)
InChIKeyWHTOXCRDAPLMLC-UHFFFAOYSA-N
XLogP2.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.94
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
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hex-5-en-2-amine
CID 115891758
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
(2S)-1-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 93264764
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
CID 115897311
6-methyl-N-(1,3-thiazol-4-ylmethyl)hept-5-en-2-amine
CID 115715037
1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43737489
tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255938
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]naphthalen-1-ol
CID 61004067

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine (CID 115891754) is 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine is CC(C)=CCCC(C)NCc1cn[nH]c1C.
What is the InChIKey of 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine?
The InChIKey is WHTOXCRDAPLMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)6-5-7-11(3)14-8-13-9-15-16-12(13)4/h6,9,11,14H,5,7-8H2,1-4H3,(H,15,16).
What are the key properties of 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine?
6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]hept-5-en-2-amine is sourced from PubChem (CID 115891754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).