(NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine

C17H27NO — CID 134971211

IUPAC(NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine
SMILESC[C@@H]1C2=C(CCCC2(C)C)CC[C@@]12CCC/C2=N\O
InChIInChI=1S/C17H27NO/c1-12-15-13(6-4-9-16(15,2)3)8-11-17(12)10-5-7-14(17)18-19/h12,19H,4-11H2,1-3H3/b18-14+/t12-,17+/m1/s1
InChIKeyXHGBULWWGLBOID-RDQOGUCLSA-N
MW261.41 g/mol
LogP4.92
Rot. Bonds

About (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine

(NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine (PubChem CID 134971211) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine
PubChem CID134971211
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine
SMILESC[C@@H]1C2=C(CCCC2(C)C)CC[C@@]12CCC/C2=N\O
InChIInChI=1S/C17H27NO/c1-12-15-13(6-4-9-16(15,2)3)8-11-17(12)10-5-7-14(17)18-19/h12,19H,4-11H2,1-3H3/b18-14+/t12-,17+/m1/s1
InChIKeyXHGBULWWGLBOID-RDQOGUCLSA-N
XLogP4.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.92
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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Related Compounds

(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol
CID 3022560
methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
CID 174474246
(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143276982
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
acetaldehyde;(2S,3S)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143002875
2-[(2,2-dimethylcyclopentylidene)amino]guanidine
CID 79821865
(NE)-N-[(3aS,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]hydroxylamine
CID 134892693
2-[(E)-(2,2-dimethylcyclopentylidene)amino]oxyacetic acid
CID 126972582
[(2,2-dimethylcyclopentylidene)amino]thiourea
CID 79863322
4,4-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
CID 14890909
6,6-dimethyl-3,4a,5,7,8,9,10,10a-octahydro-2H-benzo[g]phthalazine-1,4-dione
CID 563512
2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol
CID 123337911

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine (CID 134971211) is (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine is C[C@@H]1C2=C(CCCC2(C)C)CC[C@@]12CCC/C2=N\O.
What is the InChIKey of (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine?
The InChIKey is XHGBULWWGLBOID-RDQOGUCLSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-15-13(6-4-9-16(15,2)3)8-11-17(12)10-5-7-14(17)18-19/h12,19H,4-11H2,1-3H3/b18-14+/t12-,17+/m1/s1.
What are the key properties of (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine?
(NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine has a molecular weight of 261.41 g/mol, XLogP of 4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine is sourced from PubChem (CID 134971211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).