N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine

C10H17N3 — CID 116660539

IUPACN-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1cnn(C)c1)NC
InChIInChI=1S/C10H17N3/c1-4-5-10(11-2)6-9-7-12-13(3)8-9/h4,7-8,10-11H,1,5-6H2,2-3H3
InChIKeyVBEJKJCJMQMBMS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.13
Rot. Bonds5

About N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine

N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine (PubChem CID 116660539) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine
PubChem CID116660539
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1cnn(C)c1)NC
InChIInChI=1S/C10H17N3/c1-4-5-10(11-2)6-9-7-12-13(3)8-9/h4,7-8,10-11H,1,5-6H2,2-3H3
InChIKeyVBEJKJCJMQMBMS-UHFFFAOYSA-N
XLogP1.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.13
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

1-(1-methylpyrazol-4-yl)hex-5-en-3-ylhydrazine
CID 103027060
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
CID 116660545
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
2-methyl-3-(1-methylpyrazol-4-yl)propanal
CID 64666214
2-N,3-N,3-N,3-tetramethyl-1-(1-methylpyrazol-4-yl)butane-2,3-diamine
CID 79053603

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine (CID 116660539) is N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine is C=CCC(Cc1cnn(C)c1)NC.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine?
The InChIKey is VBEJKJCJMQMBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-10(11-2)6-9-7-12-13(3)8-9/h4,7-8,10-11H,1,5-6H2,2-3H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine?
N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine is sourced from PubChem (CID 116660539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).