(NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine

C15H28N2O — CID 87475175

IUPAC(NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine
SMILESCNC(/C(=N/O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-16-14(12-8-4-2-5-9-12)15(17-18)13-10-6-3-7-11-13/h12-14,16,18H,2-11H2,1H3/b17-15+
InChIKeyZVRLTBIJWCTDHS-BMRADRMJSA-N
MW252.40 g/mol
LogP3.57
Rot. Bonds4

About (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine

(NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine (PubChem CID 87475175) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine
PubChem CID87475175
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine
SMILESCNC(/C(=N/O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-16-14(12-8-4-2-5-9-12)15(17-18)13-10-6-3-7-11-13/h12-14,16,18H,2-11H2,1H3/b17-15+
InChIKeyZVRLTBIJWCTDHS-BMRADRMJSA-N
XLogP3.57
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine (CID 87475175) is (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine is CNC(/C(=N/O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine?
The InChIKey is ZVRLTBIJWCTDHS-BMRADRMJSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-14(12-8-4-2-5-9-12)15(17-18)13-10-6-3-7-11-13/h12-14,16,18H,2-11H2,1H3/b17-15+.
What are the key properties of (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine?
(NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine has a molecular weight of 252.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1,2-dicyclohexyl-2-(methylamino)ethylidene]hydroxylamine is sourced from PubChem (CID 87475175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).