N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine

C14H23NO — CID 4172261

IUPACN-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine
SMILESCC(C)=CCCC1=CCC(C=NO)C(C)C1
InChIInChI=1S/C14H23NO/c1-11(2)5-4-6-13-7-8-14(10-15-16)12(3)9-13/h5,7,10,12,14,16H,4,6,8-9H2,1-3H3
InChIKeyVPDMOLNYQSAEOC-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.17
Rot. Bonds4

About N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine

N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine (PubChem CID 4172261) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine
PubChem CID4172261
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine
SMILESCC(C)=CCCC1=CCC(C=NO)C(C)C1
InChIInChI=1S/C14H23NO/c1-11(2)5-4-6-13-7-8-14(10-15-16)12(3)9-13/h5,7,10,12,14,16H,4,6,8-9H2,1-3H3
InChIKeyVPDMOLNYQSAEOC-UHFFFAOYSA-N
XLogP4.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine (CID 4172261) is N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine is CC(C)=CCCC1=CCC(C=NO)C(C)C1.
What is the InChIKey of N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
The InChIKey is VPDMOLNYQSAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)5-4-6-13-7-8-14(10-15-16)12(3)9-13/h5,7,10,12,14,16H,4,6,8-9H2,1-3H3.
What are the key properties of N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine?
N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine has a molecular weight of 221.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 4172261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).