N-butoxy-N,2-dimethylpropan-2-amine

C9H21NO — CID 89212166

IUPACN-butoxy-N,2-dimethylpropan-2-amine
SMILESCCCCON(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-7-8-11-10(5)9(2,3)4/h6-8H2,1-5H3
InChIKeyDAMRLHJZEDEHOT-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.45
Rot. Bonds4

About N-butoxy-N,2-dimethylpropan-2-amine

N-butoxy-N,2-dimethylpropan-2-amine (PubChem CID 89212166) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-butoxy-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-butoxy-N,2-dimethylpropan-2-amine
PubChem CID89212166
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-butoxy-N,2-dimethylpropan-2-amine
SMILESCCCCON(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-6-7-8-11-10(5)9(2,3)4/h6-8H2,1-5H3
InChIKeyDAMRLHJZEDEHOT-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
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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Related Compounds

N-ethoxy-N,2-dimethylpropan-2-amine
CID 58320031
N-ethoxy-2-methyl-N-propan-2-ylpropan-2-amine
CID 58320112
N-tert-butyl-N-ethoxy-2-methylpropan-2-amine
CID 58320226
N-ethoxy-N-ethyl-2-methylpropan-2-amine
CID 58320239
N-ethoxy-N-(methoxymethyl)-2-methylpropan-2-amine
CID 59760192
1-Tert-butyl-1-ethoxy-2,2-dimethylhydrazine
CID 87494945
Tert-butyl-diethoxy-methylazanium
CID 88405552
N,2-dimethyl-N-propan-2-yloxypropan-2-amine
CID 89212050
N,2-dimethyl-N-(2-methylpropoxy)propan-2-amine
CID 89212057
N-(2,2-dimethylpropoxy)-N,2-dimethylpropan-2-amine
CID 89212058
N,2-dimethyl-N-propoxypropan-2-amine
CID 89212165
N-ethoxy-2-methyl-N-propylpropan-2-amine
CID 123736808

Frequently Asked Questions

What is the IUPAC name of N-butoxy-N,2-dimethylpropan-2-amine?
The IUPAC name of N-butoxy-N,2-dimethylpropan-2-amine (CID 89212166) is N-butoxy-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-butoxy-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-butoxy-N,2-dimethylpropan-2-amine is CCCCON(C)C(C)(C)C.
What is the InChIKey of N-butoxy-N,2-dimethylpropan-2-amine?
The InChIKey is DAMRLHJZEDEHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-7-8-11-10(5)9(2,3)4/h6-8H2,1-5H3.
What are the key properties of N-butoxy-N,2-dimethylpropan-2-amine?
N-butoxy-N,2-dimethylpropan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butoxy-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 89212166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).