(NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine

C15H23NO — CID 11770367

IUPAC(NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine
SMILESCC1=C[C@@H]2[C@H](C/C1=N\O)C(C)=CC[C@H]2C(C)C
InChIInChI=1S/C15H23NO/c1-9(2)12-6-5-10(3)13-8-15(16-17)11(4)7-14(12)13/h5,7,9,12-14,17H,6,8H2,1-4H3/b16-15+/t12-,13+,14-/m0/s1
InChIKeyJMKNEFJLFNZZOQ-UASGLNHKSA-N
MW233.35 g/mol
LogP4.02
Rot. Bonds1

About (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine

(NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine (PubChem CID 11770367) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine
PubChem CID11770367
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine
SMILESCC1=C[C@@H]2[C@H](C/C1=N\O)C(C)=CC[C@H]2C(C)C
InChIInChI=1S/C15H23NO/c1-9(2)12-6-5-10(3)13-8-15(16-17)11(4)7-14(12)13/h5,7,9,12-14,17H,6,8H2,1-4H3/b16-15+/t12-,13+,14-/m0/s1
InChIKeyJMKNEFJLFNZZOQ-UASGLNHKSA-N
XLogP4.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.02
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 (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine (CID 11770367) is (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine is CC1=C[C@@H]2[C@H](C/C1=N\O)C(C)=CC[C@H]2C(C)C.
What is the InChIKey of (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine?
The InChIKey is JMKNEFJLFNZZOQ-UASGLNHKSA-N. The full InChI is InChI=1S/C15H23NO/c1-9(2)12-6-5-10(3)13-8-15(16-17)11(4)7-14(12)13/h5,7,9,12-14,17H,6,8H2,1-4H3/b16-15+/t12-,13+,14-/m0/s1.
What are the key properties of (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine?
(NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine has a molecular weight of 233.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4aR,5S,8aS)-3,8-dimethyl-5-propan-2-yl-4a,5,6,8a-tetrahydro-1H-naphthalen-2-ylidene]hydroxylamine is sourced from PubChem (CID 11770367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).