(NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine

C12H23N3O — CID 146369483

IUPAC(NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine
SMILESCCC(/C(N)=C(\C=C/N)/C=N/O)C(C)(C)C
InChIInChI=1S/C12H23N3O/c1-5-10(12(2,3)4)11(14)9(6-7-13)8-15-16/h6-8,10,16H,5,13-14H2,1-4H3/b7-6-,11-9-,15-8+
InChIKeyPFJAMZDPKQCBDE-RNRHTUGRSA-N
MW225.34 g/mol
LogP2.20
Rot. Bonds4

About (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine

(NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine (PubChem CID 146369483) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine
PubChem CID146369483
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine
SMILESCCC(/C(N)=C(\C=C/N)/C=N/O)C(C)(C)C
InChIInChI=1S/C12H23N3O/c1-5-10(12(2,3)4)11(14)9(6-7-13)8-15-16/h6-8,10,16H,5,13-14H2,1-4H3/b7-6-,11-9-,15-8+
InChIKeyPFJAMZDPKQCBDE-RNRHTUGRSA-N
XLogP2.20
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine (CID 146369483) is (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine is CCC(/C(N)=C(\C=C/N)/C=N/O)C(C)(C)C.
What is the InChIKey of (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine?
The InChIKey is PFJAMZDPKQCBDE-RNRHTUGRSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-10(12(2,3)4)11(14)9(6-7-13)8-15-16/h6-8,10,16H,5,13-14H2,1-4H3/b7-6-,11-9-,15-8+.
What are the key properties of (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine?
(NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine has a molecular weight of 225.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(Z)-3-amino-2-[(Z)-2-aminoethenyl]-4-ethyl-5,5-dimethylhex-2-enylidene]hydroxylamine is sourced from PubChem (CID 146369483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).