N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine

C14H23NO — CID 3662480

IUPACN-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine
SMILESCC1CC2=C(CC1C=NO)C(C)(C)CCC2
InChIInChI=1S/C14H23NO/c1-10-7-11-5-4-6-14(2,3)13(11)8-12(10)9-15-16/h9-10,12,16H,4-8H2,1-3H3
InChIKeyDSPAKRFVPYMBPJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.00
Rot. Bonds1

About N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine

N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine (PubChem CID 3662480) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine
PubChem CID3662480
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine
SMILESCC1CC2=C(CC1C=NO)C(C)(C)CCC2
InChIInChI=1S/C14H23NO/c1-10-7-11-5-4-6-14(2,3)13(11)8-12(10)9-15-16/h9-10,12,16H,4-8H2,1-3H3
InChIKeyDSPAKRFVPYMBPJ-UHFFFAOYSA-N
XLogP4.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.00
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-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine (CID 3662480) is N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine is CC1CC2=C(CC1C=NO)C(C)(C)CCC2.
What is the InChIKey of N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine?
The InChIKey is DSPAKRFVPYMBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-11-5-4-6-14(2,3)13(11)8-12(10)9-15-16/h9-10,12,16H,4-8H2,1-3H3.
What are the key properties of N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine?
N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine has a molecular weight of 221.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 3662480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).