N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen

C20H48N2O — CID 143799296

IUPACN-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen
SMILESC=C(C)C.C=C(C)CCNCC.CCC(C)(C)CCCCNO.[H][H].[H][H]
InChIInChI=1S/C9H21NO.C7H15N.C4H8.2H2/c1-4-9(2,3)7-5-6-8-10-11;1-4-8-6-5-7(2)3;1-4(2)3;;/h10-11H,4-8H2,1-3H3;8H,2,4-6H2,1,3H3;1H2,2-3H3;2*1H
InChIKeyVEUOIOOVSVINPS-UHFFFAOYSA-N
MW332.62 g/mol
LogP6.21
Rot. Bonds10

About N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen

N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen (PubChem CID 143799296) has the molecular formula C20H48N2O and a molecular weight of 332.62 g/mol. Its IUPAC name is N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen.

Molecular Properties

Compound NameN-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen
PubChem CID143799296
Molecular FormulaC20H48N2O
Molecular Weight332.62 g/mol
Exact Mass332.38
IUPAC NameN-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen
SMILESC=C(C)C.C=C(C)CCNCC.CCC(C)(C)CCCCNO.[H][H].[H][H]
InChIInChI=1S/C9H21NO.C7H15N.C4H8.2H2/c1-4-9(2,3)7-5-6-8-10-11;1-4-8-6-5-7(2)3;1-4(2)3;;/h10-11H,4-8H2,1-3H3;8H,2,4-6H2,1,3H3;1H2,2-3H3;2*1H
InChIKeyVEUOIOOVSVINPS-UHFFFAOYSA-N
XLogP6.21
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen?
The IUPAC name of N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen (CID 143799296) is N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen.
What is the SMILES notation for N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen?
The canonical SMILES for N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen is C=C(C)C.C=C(C)CCNCC.CCC(C)(C)CCCCNO.[H][H].[H][H].
What is the InChIKey of N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen?
The InChIKey is VEUOIOOVSVINPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C7H15N.C4H8.2H2/c1-4-9(2,3)7-5-6-8-10-11;1-4-8-6-5-7(2)3;1-4(2)3;;/h10-11H,4-8H2,1-3H3;8H,2,4-6H2,1,3H3;1H2,2-3H3;2*1H.
What are the key properties of N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen?
N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen has a molecular weight of 332.62 g/mol, XLogP of 6.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylheptyl)hydroxylamine;N-ethyl-3-methylbut-3-en-1-amine;2-methylprop-1-ene;molecular hydrogen is sourced from PubChem (CID 143799296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).