N-[(2-heptylphenyl)methylidene]hydroxylamine

C14H21NO — CID 160567988

IUPACN-[(2-heptylphenyl)methylidene]hydroxylamine
SMILESCCCCCCCc1ccccc1C=NO
InChIInChI=1S/C14H21NO/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15-16/h7-8,10-12,16H,2-6,9H2,1H3
InChIKeyRAEFYPBLCNIEGD-UHFFFAOYSA-N
MW219.33 g/mol
LogP4.01
Rot. Bonds7

About N-[(2-heptylphenyl)methylidene]hydroxylamine

N-[(2-heptylphenyl)methylidene]hydroxylamine (PubChem CID 160567988) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-heptylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-heptylphenyl)methylidene]hydroxylamine
PubChem CID160567988
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2-heptylphenyl)methylidene]hydroxylamine
SMILESCCCCCCCc1ccccc1C=NO
InChIInChI=1S/C14H21NO/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15-16/h7-8,10-12,16H,2-6,9H2,1H3
InChIKeyRAEFYPBLCNIEGD-UHFFFAOYSA-N
XLogP4.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-ethenyl-2-pentylbenzene
CID 22171756
1,2-dihexylbenzene;hydrate
CID 172833093
1-pentadecyl-2-[(E)-pent-1-enyl]benzene
CID 21273097
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
2-dodecylphenol
CID 160834917
1,2-didecylbenzene;phosphonous acid
CID 70526437
CID 69025009
CID 69025009

Frequently Asked Questions

What is the IUPAC name of N-[(2-heptylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-heptylphenyl)methylidene]hydroxylamine (CID 160567988) is N-[(2-heptylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-heptylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-heptylphenyl)methylidene]hydroxylamine is CCCCCCCc1ccccc1C=NO.
What is the InChIKey of N-[(2-heptylphenyl)methylidene]hydroxylamine?
The InChIKey is RAEFYPBLCNIEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15-16/h7-8,10-12,16H,2-6,9H2,1H3.
What are the key properties of N-[(2-heptylphenyl)methylidene]hydroxylamine?
N-[(2-heptylphenyl)methylidene]hydroxylamine has a molecular weight of 219.33 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-heptylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 160567988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).