(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine

C12H20N4 — CID 134386288

IUPAC(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine
SMILESC=Nc1c(C)cnn1/C=C\CCCCNC
InChIInChI=1S/C12H20N4/c1-11-10-15-16(12(11)14-3)9-7-5-4-6-8-13-2/h7,9-10,13H,3-6,8H2,1-2H3/b9-7-
InChIKeyOJFUUTMDLCCBNR-CLFYSBASSA-N
MW220.32 g/mol
LogP2.38
Rot. Bonds7

About (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine

(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine (PubChem CID 134386288) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine
PubChem CID134386288
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine
SMILESC=Nc1c(C)cnn1/C=C\CCCCNC
InChIInChI=1S/C12H20N4/c1-11-10-15-16(12(11)14-3)9-7-5-4-6-8-13-2/h7,9-10,13H,3-6,8H2,1-2H3/b9-7-
InChIKeyOJFUUTMDLCCBNR-CLFYSBASSA-N
XLogP2.38
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine?
The IUPAC name of (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine (CID 134386288) is (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine?
The canonical SMILES for (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine is C=Nc1c(C)cnn1/C=C\CCCCNC.
What is the InChIKey of (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine?
The InChIKey is OJFUUTMDLCCBNR-CLFYSBASSA-N. The full InChI is InChI=1S/C12H20N4/c1-11-10-15-16(12(11)14-3)9-7-5-4-6-8-13-2/h7,9-10,13H,3-6,8H2,1-2H3/b9-7-.
What are the key properties of (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine?
(Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-6-[4-methyl-5-(methylideneamino)pyrazol-1-yl]hex-5-en-1-amine is sourced from PubChem (CID 134386288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).