N-(4-iminopentyl)-N-propan-2-ylhydroxylamine

C8H18N2O — CID 123990488

IUPACN-(4-iminopentyl)-N-propan-2-ylhydroxylamine
SMILES[H]/N=C(\C)CCCN(O)C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10(11)6-4-5-8(3)9/h7,9,11H,4-6H2,1-3H3/b9-8+
InChIKeyLGIWEPAWCZEVSW-CMDGGOBGSA-N
MW158.24 g/mol
LogP1.91
Rot. Bonds5

About N-(4-iminopentyl)-N-propan-2-ylhydroxylamine

N-(4-iminopentyl)-N-propan-2-ylhydroxylamine (PubChem CID 123990488) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(4-iminopentyl)-N-propan-2-ylhydroxylamine.

Molecular Properties

Compound NameN-(4-iminopentyl)-N-propan-2-ylhydroxylamine
PubChem CID123990488
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(4-iminopentyl)-N-propan-2-ylhydroxylamine
SMILES[H]/N=C(\C)CCCN(O)C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10(11)6-4-5-8(3)9/h7,9,11H,4-6H2,1-3H3/b9-8+
InChIKeyLGIWEPAWCZEVSW-CMDGGOBGSA-N
XLogP1.91
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-(4-iminopentyl)-N-propan-2-ylhydroxylamine?
The IUPAC name of N-(4-iminopentyl)-N-propan-2-ylhydroxylamine (CID 123990488) is N-(4-iminopentyl)-N-propan-2-ylhydroxylamine.
What is the SMILES notation for N-(4-iminopentyl)-N-propan-2-ylhydroxylamine?
The canonical SMILES for N-(4-iminopentyl)-N-propan-2-ylhydroxylamine is [H]/N=C(\C)CCCN(O)C(C)C.
What is the InChIKey of N-(4-iminopentyl)-N-propan-2-ylhydroxylamine?
The InChIKey is LGIWEPAWCZEVSW-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10(11)6-4-5-8(3)9/h7,9,11H,4-6H2,1-3H3/b9-8+.
What are the key properties of N-(4-iminopentyl)-N-propan-2-ylhydroxylamine?
N-(4-iminopentyl)-N-propan-2-ylhydroxylamine has a molecular weight of 158.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iminopentyl)-N-propan-2-ylhydroxylamine is sourced from PubChem (CID 123990488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).