N,N-dimethyl-4-(propylaminooxy)butan-1-amine

C9H22N2O — CID 90971318

IUPACN,N-dimethyl-4-(propylaminooxy)butan-1-amine
SMILESCCCNOCCCCN(C)C
InChIInChI=1S/C9H22N2O/c1-4-7-10-12-9-6-5-8-11(2)3/h10H,4-9H2,1-3H3
InChIKeyPVDVKNHQFZIPDY-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.26
Rot. Bonds8

About N,N-dimethyl-4-(propylaminooxy)butan-1-amine

N,N-dimethyl-4-(propylaminooxy)butan-1-amine (PubChem CID 90971318) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N,N-dimethyl-4-(propylaminooxy)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(propylaminooxy)butan-1-amine
PubChem CID90971318
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN,N-dimethyl-4-(propylaminooxy)butan-1-amine
SMILESCCCNOCCCCN(C)C
InChIInChI=1S/C9H22N2O/c1-4-7-10-12-9-6-5-8-11(2)3/h10H,4-9H2,1-3H3
InChIKeyPVDVKNHQFZIPDY-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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',N'-dimethylpropane-1,3-diamine
CID 20653052
N-methyl-4-(methylaminooxy)butan-1-amine
CID 57579189
N'-ethoxy-N'-methylbutane-1,4-diamine
CID 87639877
N-[2-(dimethylamino)ethoxy]butan-1-amine
CID 88477218
2-N-ethoxy-4-N,4-N-dimethylpentane-2,4-diamine
CID 89625982
3-N-ethoxy-1-N-ethyl-1-N-methylbutane-1,3-diamine
CID 89625985
N-[4-(butylamino)butoxy]pentan-1-amine
CID 150066293
3-(Dimethylamino)propoxy-ethylazanide;ethanamine;tungsten
CID 155702475
2-Oxido-1-oxa-7-aza-2-azoniacycloundecane
CID 164005071
4-[methyl(2-methylpropyl)amino]oxy-N-(2-methylpropyl)butan-1-amine
CID 166023894
N-[1-(diethylamino)ethoxy]propan-1-amine
CID 173191930
N-[1-(dimethylamino)ethoxy]propan-1-amine
CID 173191976

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(propylaminooxy)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(propylaminooxy)butan-1-amine (CID 90971318) is N,N-dimethyl-4-(propylaminooxy)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(propylaminooxy)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(propylaminooxy)butan-1-amine is CCCNOCCCCN(C)C.
What is the InChIKey of N,N-dimethyl-4-(propylaminooxy)butan-1-amine?
The InChIKey is PVDVKNHQFZIPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-7-10-12-9-6-5-8-11(2)3/h10H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(propylaminooxy)butan-1-amine?
N,N-dimethyl-4-(propylaminooxy)butan-1-amine has a molecular weight of 174.29 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(propylaminooxy)butan-1-amine is sourced from PubChem (CID 90971318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).