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

C13H23N3 — CID 115975774

IUPACN-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NC(C)c1cn[nH]c1C
InChIInChI=1S/C13H23N3/c1-5-6-7-8-10(2)15-11(3)13-9-14-16-12(13)4/h5,9-11,15H,1,6-8H2,2-4H3,(H,14,16)
InChIKeyANLHSOVVZXMXTF-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.11
Rot. Bonds7

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

N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine (PubChem CID 115975774) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine
PubChem CID115975774
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NC(C)c1cn[nH]c1C
InChIInChI=1S/C13H23N3/c1-5-6-7-8-10(2)15-11(3)13-9-14-16-12(13)4/h5,9-11,15H,1,6-8H2,2-4H3,(H,14,16)
InChIKeyANLHSOVVZXMXTF-UHFFFAOYSA-N
XLogP3.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115970276
1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 115972460
4-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115972844
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hept-6-en-2-amine
CID 115906867
N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine
CID 115906854
4-(1-hydrazinylhex-5-enyl)-1H-pyrazol-5-amine
CID 105231052
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
CID 110011147
4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
CID 110011191
N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine
CID 104655434
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine (CID 115975774) is N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine is C=CCCCC(C)NC(C)c1cn[nH]c1C.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine?
The InChIKey is ANLHSOVVZXMXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-7-8-10(2)15-11(3)13-9-14-16-12(13)4/h5,9-11,15H,1,6-8H2,2-4H3,(H,14,16).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine?
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine is sourced from PubChem (CID 115975774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).