N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine

C14H25N3 — CID 105182478

IUPACN,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine
SMILESC=C(C)CCC(Cc1c(C)nn(C)c1C)NC
InChIInChI=1S/C14H25N3/c1-10(2)7-8-13(15-5)9-14-11(3)16-17(6)12(14)4/h13,15H,1,7-9H2,2-6H3
InChIKeySTAMWRFGRIPDLP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds6

About N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine

N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine (PubChem CID 105182478) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine
PubChem CID105182478
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine
SMILESC=C(C)CCC(Cc1c(C)nn(C)c1C)NC
InChIInChI=1S/C14H25N3/c1-10(2)7-8-13(15-5)9-14-11(3)16-17(6)12(14)4/h13,15H,1,7-9H2,2-6H3
InChIKeySTAMWRFGRIPDLP-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
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

N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)but-3-en-2-amine
CID 105163612
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138618
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616
1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105175964
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
CID 105110499
6,6,6-trifluoro-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105156384
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167837
1-(4-bromothiophen-2-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105139256

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine?
The IUPAC name of N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine (CID 105182478) is N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine.
What is the SMILES notation for N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine?
The canonical SMILES for N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine is C=C(C)CCC(Cc1c(C)nn(C)c1C)NC.
What is the InChIKey of N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine?
The InChIKey is STAMWRFGRIPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)7-8-13(15-5)9-14-11(3)16-17(6)12(14)4/h13,15H,1,7-9H2,2-6H3.
What are the key properties of N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine?
N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine is sourced from PubChem (CID 105182478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).