(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C16H21NO — CID 87840438

IUPAC(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C16H21NO/c18-17-16-8-4-7-13-9-10-14(11-15(13)16)12-5-2-1-3-6-12/h9-12,18H,1-8H2/b17-16+
InChIKeyDHXQERRRUNEGNH-WUKNDPDISA-N
MW243.35 g/mol
LogP4.25
Rot. Bonds1

About (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 87840438) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID87840438
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C16H21NO/c18-17-16-8-4-7-13-9-10-14(11-15(13)16)12-5-2-1-3-6-12/h9-12,18H,1-8H2/b17-16+
InChIKeyDHXQERRRUNEGNH-WUKNDPDISA-N
XLogP4.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.25
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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Related Compounds

6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
3,6-dicyclohexyl-9H-fluorene
CID 87146028
N-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 58794270
8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82159405
3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 55223849
8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
CID 82159815
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 63512844
3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
CID 114194593
7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
CID 174638632
(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 91622608
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 87840438) is (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is O/N=C1\CCCc2ccc(C3CCCCC3)cc21.
What is the InChIKey of (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is DHXQERRRUNEGNH-WUKNDPDISA-N. The full InChI is InChI=1S/C16H21NO/c18-17-16-8-4-7-13-9-10-14(11-15(13)16)12-5-2-1-3-6-12/h9-12,18H,1-8H2/b17-16+.
What are the key properties of (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 243.35 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 87840438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).