N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine

C14H26N4O — CID 123458037

IUPACN'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine
SMILESCOC1(C)C=C(N2CCN(C)CC2)C=CC1NCN
InChIInChI=1S/C14H26N4O/c1-14(19-3)10-12(4-5-13(14)16-11-15)18-8-6-17(2)7-9-18/h4-5,10,13,16H,6-9,11,15H2,1-3H3
InChIKeyIIEDGAIEQSQGSI-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.03
Rot. Bonds4

About N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine

N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine (PubChem CID 123458037) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine.

Molecular Properties

Compound NameN'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine
PubChem CID123458037
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine
SMILESCOC1(C)C=C(N2CCN(C)CC2)C=CC1NCN
InChIInChI=1S/C14H26N4O/c1-14(19-3)10-12(4-5-13(14)16-11-15)18-8-6-17(2)7-9-18/h4-5,10,13,16H,6-9,11,15H2,1-3H3
InChIKeyIIEDGAIEQSQGSI-UHFFFAOYSA-N
XLogP-0.03
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[4-(difluoromethoxy)-3-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-3-methylpiperazine
CID 145539846
3-Methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine
CID 143566789

Frequently Asked Questions

What is the IUPAC name of N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine?
The IUPAC name of N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine (CID 123458037) is N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine.
What is the SMILES notation for N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine?
The canonical SMILES for N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine is COC1(C)C=C(N2CCN(C)CC2)C=CC1NCN.
What is the InChIKey of N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine?
The InChIKey is IIEDGAIEQSQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(19-3)10-12(4-5-13(14)16-11-15)18-8-6-17(2)7-9-18/h4-5,10,13,16H,6-9,11,15H2,1-3H3.
What are the key properties of N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine?
N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine has a molecular weight of 266.39 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-methoxy-6-methyl-4-(4-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-yl]methanediamine is sourced from PubChem (CID 123458037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).