N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine

C14H28N4O2 — CID 137029652

IUPACN-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine
SMILESCC/C(=N\CC(C)(C)CNC(C)C(C)N=O)C(C)=NO
InChIInChI=1S/C14H28N4O2/c1-7-13(12(4)18-20)16-9-14(5,6)8-15-10(2)11(3)17-19/h10-11,15,20H,7-9H2,1-6H3/b16-13+,18-12?
InChIKeyWUDGJQBTIZLHTL-LUTDJHFOSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds9

About N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine

N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine (PubChem CID 137029652) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine
PubChem CID137029652
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine
SMILESCC/C(=N\CC(C)(C)CNC(C)C(C)N=O)C(C)=NO
InChIInChI=1S/C14H28N4O2/c1-7-13(12(4)18-20)16-9-14(5,6)8-15-10(2)11(3)17-19/h10-11,15,20H,7-9H2,1-6H3/b16-13+,18-12?
InChIKeyWUDGJQBTIZLHTL-LUTDJHFOSA-N
XLogP2.85
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine (CID 137029652) is N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine is CC/C(=N\CC(C)(C)CNC(C)C(C)N=O)C(C)=NO.
What is the InChIKey of N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine?
The InChIKey is WUDGJQBTIZLHTL-LUTDJHFOSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-7-13(12(4)18-20)16-9-14(5,6)8-15-10(2)11(3)17-19/h10-11,15,20H,7-9H2,1-6H3/b16-13+,18-12?.
What are the key properties of N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine?
N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine has a molecular weight of 284.40 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,2-dimethyl-3-(3-nitrosobutan-2-ylamino)propyl]iminopentan-2-ylidene]hydroxylamine is sourced from PubChem (CID 137029652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).