N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine

C14H31NO — CID 142642961

IUPACN-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine
SMILESCCCCCCN(O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-7-8-9-10-11-15(16)14(5,6)12-13(2,3)4/h16H,7-12H2,1-6H3
InChIKeyHQMZFKPNJWJVBR-UHFFFAOYSA-N
MW229.41 g/mol
LogP4.47
Rot. Bonds7

About N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine

N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine (PubChem CID 142642961) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine
PubChem CID142642961
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine
SMILESCCCCCCN(O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-7-8-9-10-11-15(16)14(5,6)12-13(2,3)4/h16H,7-12H2,1-6H3
InChIKeyHQMZFKPNJWJVBR-UHFFFAOYSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine?
The IUPAC name of N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine (CID 142642961) is N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine.
What is the SMILES notation for N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine?
The canonical SMILES for N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine is CCCCCCN(O)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine?
The InChIKey is HQMZFKPNJWJVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-7-8-9-10-11-15(16)14(5,6)12-13(2,3)4/h16H,7-12H2,1-6H3.
What are the key properties of N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine?
N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine has a molecular weight of 229.41 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2,4,4-trimethylpentan-2-yl)hydroxylamine is sourced from PubChem (CID 142642961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).