(NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine

C14H27NO — CID 138580671

IUPAC(NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine
SMILESCC(C)C(C)(C)/C(CC1CCCCC1)=N/O
InChIInChI=1S/C14H27NO/c1-11(2)14(3,4)13(15-16)10-12-8-6-5-7-9-12/h11-12,16H,5-10H2,1-4H3/b15-13+
InChIKeyNVMANAIRERWQMK-FYWRMAATSA-N
MW225.38 g/mol
LogP4.47
Rot. Bonds4

About (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine

(NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine (PubChem CID 138580671) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine
PubChem CID138580671
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine
SMILESCC(C)C(C)(C)/C(CC1CCCCC1)=N/O
InChIInChI=1S/C14H27NO/c1-11(2)14(3,4)13(15-16)10-12-8-6-5-7-9-12/h11-12,16H,5-10H2,1-4H3/b15-13+
InChIKeyNVMANAIRERWQMK-FYWRMAATSA-N
XLogP4.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.47
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

N-(1-cyclohexyl-3,3,4-trimethylpent-4-en-2-ylidene)hydroxylamine
CID 155617647
N-(1-cyclopentylpropan-2-ylidene)hydroxylamine
CID 131143406
2-cyclohexyl-N'-hydroxy-N-methyl-N-[(2-methylpropan-2-yl)oxy]ethanimidamide
CID 156545784
1-cyclohexyl-2,2,3-trimethylbutan-1-one
CID 142560309
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
2-cyclohexyl-N'-methylethanimidamide
CID 130678198
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
1-cyclohexadecylpropan-2-one
CID 175123721

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine (CID 138580671) is (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine is CC(C)C(C)(C)/C(CC1CCCCC1)=N/O.
What is the InChIKey of (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine?
The InChIKey is NVMANAIRERWQMK-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)14(3,4)13(15-16)10-12-8-6-5-7-9-12/h11-12,16H,5-10H2,1-4H3/b15-13+.
What are the key properties of (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine?
(NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine has a molecular weight of 225.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-cyclohexyl-3,3,4-trimethylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 138580671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).