(NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine

C11H16N2O — CID 135700406

IUPAC(NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine
SMILESC/N=C1C(=N\O)\C=CC2CCCCC\12
InChIInChI=1S/C11H16N2O/c1-12-11-9-5-3-2-4-8(9)6-7-10(11)13-14/h6-9,14H,2-5H2,1H3/b12-11-,13-10+
InChIKeyRUSBENYTOVBCRA-QOLBIDBBSA-N
MW192.26 g/mol
LogP2.26
Rot. Bonds

About (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine

(NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine (PubChem CID 135700406) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine
PubChem CID135700406
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine
SMILESC/N=C1C(=N\O)\C=CC2CCCCC\12
InChIInChI=1S/C11H16N2O/c1-12-11-9-5-3-2-4-8(9)6-7-10(11)13-14/h6-9,14H,2-5H2,1H3/b12-11-,13-10+
InChIKeyRUSBENYTOVBCRA-QOLBIDBBSA-N
XLogP2.26
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine (CID 135700406) is (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine is C/N=C1C(=N\O)\C=CC2CCCCC\12.
What is the InChIKey of (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine?
The InChIKey is RUSBENYTOVBCRA-QOLBIDBBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-11-9-5-3-2-4-8(9)6-7-10(11)13-14/h6-9,14H,2-5H2,1H3/b12-11-,13-10+.
What are the key properties of (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine?
(NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine has a molecular weight of 192.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methylimino-4a,5,6,7,8,8a-hexahydronaphthalen-2-ylidene)hydroxylamine is sourced from PubChem (CID 135700406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).