(NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine

C17H29NO — CID 5348740

IUPAC(NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=N\O
InChIInChI=1S/C17H29NO/c1-12(18-19)9-14-10-13-7-6-8-16(2,3)15(13)11-17(14,4)5/h14,19H,6-11H2,1-5H3/b18-12+
InChIKeyMFKZMGIKZYMPME-LDADJPATSA-N
MW263.42 g/mol
LogP5.17
Rot. Bonds2

About (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine (PubChem CID 5348740) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine
PubChem CID5348740
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name(NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=N\O
InChIInChI=1S/C17H29NO/c1-12(18-19)9-14-10-13-7-6-8-16(2,3)15(13)11-17(14,4)5/h14,19H,6-11H2,1-5H3/b18-12+
InChIKeyMFKZMGIKZYMPME-LDADJPATSA-N
XLogP5.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.42
LogP ≤ 55.17
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 (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine (CID 5348740) is (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine is C/C(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=N\O.
What is the InChIKey of (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is MFKZMGIKZYMPME-LDADJPATSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(18-19)9-14-10-13-7-6-8-16(2,3)15(13)11-17(14,4)5/h14,19H,6-11H2,1-5H3/b18-12+.
What are the key properties of (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 263.42 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 5348740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).