N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine

C11H18N4O — CID 163677699

IUPACN-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine
SMILES[H]/N=C1\C=C(N2CCN(C)CC2)CCC1=NO
InChIInChI=1S/C11H18N4O/c1-14-4-6-15(7-5-14)9-2-3-11(13-16)10(12)8-9/h8,12,16H,2-7H2,1H3/b12-10+,13-11?
InChIKeyOFATZACWHBHEQL-OODYRVNISA-N
MW222.29 g/mol
LogP0.76
Rot. Bonds1

About N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine

N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine (PubChem CID 163677699) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine
PubChem CID163677699
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine
SMILES[H]/N=C1\C=C(N2CCN(C)CC2)CCC1=NO
InChIInChI=1S/C11H18N4O/c1-14-4-6-15(7-5-14)9-2-3-11(13-16)10(12)8-9/h8,12,16H,2-7H2,1H3/b12-10+,13-11?
InChIKeyOFATZACWHBHEQL-OODYRVNISA-N
XLogP0.76
TPSA62.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-piperidin-1-ylcyclohex-2-en-1-ylidene)hydroxylamine
CID 88827072
N-[2-(diethylamino)cyclohex-2-en-1-ylidene]hydroxylamine
CID 88827506
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
N-[4-(4-ethylpiperazin-1-yl)-2-iminocyclohex-3-en-1-ylidene]hydroxylamine
CID 173754972

Frequently Asked Questions

What is the IUPAC name of N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine?
The IUPAC name of N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine (CID 163677699) is N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine?
The canonical SMILES for N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine is [H]/N=C1\C=C(N2CCN(C)CC2)CCC1=NO.
What is the InChIKey of N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine?
The InChIKey is OFATZACWHBHEQL-OODYRVNISA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-4-6-15(7-5-14)9-2-3-11(13-16)10(12)8-9/h8,12,16H,2-7H2,1H3/b12-10+,13-11?.
What are the key properties of N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine?
N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imino-4-(4-methylpiperazin-1-yl)cyclohex-3-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 163677699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).