N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine

C20H34N2O — CID 56997885

IUPACN-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine
SMILESCC1CC2N(C)C(=NO)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12
InChIInChI=1S/C20H34N2O/c1-13-12-16-20(3,11-8-17(21-23)22(16)4)15-7-10-19(2)9-5-6-14(19)18(13)15/h13-16,18,23H,5-12H2,1-4H3/t13?,14-,15+,16?,18-,19-,20+/m0/s1
InChIKeyIINJEBOMEXAKSG-WPPIHUFCSA-N
MW318.50 g/mol
LogP4.75
Rot. Bonds

About N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine

N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine (PubChem CID 56997885) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine
PubChem CID56997885
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC NameN-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine
SMILESCC1CC2N(C)C(=NO)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12
InChIInChI=1S/C20H34N2O/c1-13-12-16-20(3,11-8-17(21-23)22(16)4)15-7-10-19(2)9-5-6-14(19)18(13)15/h13-16,18,23H,5-12H2,1-4H3/t13?,14-,15+,16?,18-,19-,20+/m0/s1
InChIKeyIINJEBOMEXAKSG-WPPIHUFCSA-N
XLogP4.75
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine?
The IUPAC name of N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine (CID 56997885) is N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine.
What is the SMILES notation for N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine?
The canonical SMILES for N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine is CC1CC2N(C)C(=NO)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12.
What is the InChIKey of N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine?
The InChIKey is IINJEBOMEXAKSG-WPPIHUFCSA-N. The full InChI is InChI=1S/C20H34N2O/c1-13-12-16-20(3,11-8-17(21-23)22(16)4)15-7-10-19(2)9-5-6-14(19)18(13)15/h13-16,18,23H,5-12H2,1-4H3/t13?,14-,15+,16?,18-,19-,20+/m0/s1.
What are the key properties of N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine?
N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine has a molecular weight of 318.50 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,3bS,9aR,9bR,11aS)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-ylidene]hydroxylamine is sourced from PubChem (CID 56997885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).