(NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine

C17H29NO — CID 59197199

IUPAC(NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESCC(C)C1C=CC2C/C(=N\O)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15-7-6-13-10-14(18-19)8-9-17(13,5)16(15)12(3)4/h6-7,11-13,15-16,19H,8-10H2,1-5H3/b18-14-/t13?,15?,16?,17-/m0/s1
InChIKeyWYRCSCSFPLUGEA-OPMRXSMTSA-N
MW263.43 g/mol
LogP4.74
Rot. Bonds2

About (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine

(NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine (PubChem CID 59197199) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine
PubChem CID59197199
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESCC(C)C1C=CC2C/C(=N\O)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C17H29NO/c1-11(2)15-7-6-13-10-14(18-19)8-9-17(13,5)16(15)12(3)4/h6-7,11-13,15-16,19H,8-10H2,1-5H3/b18-14-/t13?,15?,16?,17-/m0/s1
InChIKeyWYRCSCSFPLUGEA-OPMRXSMTSA-N
XLogP4.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.74
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 (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine (CID 59197199) is (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine is CC(C)C1C=CC2C/C(=N\O)CC[C@]2(C)C1C(C)C.
What is the InChIKey of (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine?
The InChIKey is WYRCSCSFPLUGEA-OPMRXSMTSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)15-7-6-13-10-14(18-19)8-9-17(13,5)16(15)12(3)4/h6-7,11-13,15-16,19H,8-10H2,1-5H3/b18-14-/t13?,15?,16?,17-/m0/s1.
What are the key properties of (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine?
(NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine has a molecular weight of 263.43 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4aS)-4a-methyl-5,6-di(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-2-ylidene]hydroxylamine is sourced from PubChem (CID 59197199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).