(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine

C12H21N3 — CID 163302570

IUPAC(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine
SMILES[H]/N=C/C(=C/CCCCC)C1NN=CC1C
InChIInChI=1S/C12H21N3/c1-3-4-5-6-7-11(8-13)12-10(2)9-14-15-12/h7-10,12-13,15H,3-6H2,1-2H3/b11-7-,13-8+
InChIKeyNJVPAKCRNQCMCW-JKNYEHFOSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds6

About (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine

(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine (PubChem CID 163302570) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine
PubChem CID163302570
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine
SMILES[H]/N=C/C(=C/CCCCC)C1NN=CC1C
InChIInChI=1S/C12H21N3/c1-3-4-5-6-7-11(8-13)12-10(2)9-14-15-12/h7-10,12-13,15H,3-6H2,1-2H3/b11-7-,13-8+
InChIKeyNJVPAKCRNQCMCW-JKNYEHFOSA-N
XLogP2.74
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-ethylhept-2-en-1-imine
CID 146336575
(Z)-2-bromohept-2-en-1-imine
CID 166655516
1,1-diiodonon-1-ene
CID 141002826
azane;hexan-1-imine
CID 158895938
1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
CID 123613644
2-iodooct-2-enal
CID 74960497
(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
1-sulfanyltetradec-1-en-1-ol
CID 175360116
hexan-1-imine;platinum;dihydrate
CID 175690790
(E)-2-iodonon-2-ene
CID 10444893
1-ethoxy-1-iodooct-1-ene
CID 173444253
undec-1-ene-1,1-diol
CID 87556705

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine?
The IUPAC name of (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine (CID 163302570) is (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine.
What is the SMILES notation for (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine?
The canonical SMILES for (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine is [H]/N=C/C(=C/CCCCC)C1NN=CC1C.
What is the InChIKey of (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine?
The InChIKey is NJVPAKCRNQCMCW-JKNYEHFOSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-6-7-11(8-13)12-10(2)9-14-15-12/h7-10,12-13,15H,3-6H2,1-2H3/b11-7-,13-8+.
What are the key properties of (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine?
(E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methyl-4,5-dihydro-1H-pyrazol-5-yl)oct-2-en-1-imine is sourced from PubChem (CID 163302570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).