methyl(3-propoxypropyl)azanide

C7H16NO- — CID 155624789

IUPACmethyl(3-propoxypropyl)azanide
SMILESCCCOCCC[N-]C
InChIInChI=1S/C7H16NO/c1-3-6-9-7-4-5-8-2/h3-7H2,1-2H3/q-1
InChIKeyKHMHQSAPARIZED-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.81
Rot. Bonds6

About methyl(3-propoxypropyl)azanide

methyl(3-propoxypropyl)azanide (PubChem CID 155624789) has the molecular formula C7H16NO- and a molecular weight of 130.21 g/mol. Its IUPAC name is methyl(3-propoxypropyl)azanide.

Molecular Properties

Compound Namemethyl(3-propoxypropyl)azanide
PubChem CID155624789
Molecular FormulaC7H16NO-
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Namemethyl(3-propoxypropyl)azanide
SMILESCCCOCCC[N-]C
InChIInChI=1S/C7H16NO/c1-3-6-9-7-4-5-8-2/h3-7H2,1-2H3/q-1
InChIKeyKHMHQSAPARIZED-UHFFFAOYSA-N
XLogP1.81
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
1-Propanamine, 3,3'-oxybis[N,N-dimethyl-
CID 12295923
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
1-Ethoxy-3-isocyanopropane
CID 3902623
1-methoxy-N,N-dimethylpropan-1-amine
CID 22062441
Trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
CID 46900
3-ethoxy-N-ethyl-N-fluoropropan-1-amine
CID 153753202
3-ethoxy-N-fluoro-N-methylpropan-1-amine
CID 154509635
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226
N,N-Dimethyl-3-butoxypropylamine
CID 547393
N,N-Dimethyl-3-isopropoxypropylamine
CID 547394
Trimethyl-methoxypropanyl-ammonium-bromide
CID 129704811

Frequently Asked Questions

What is the IUPAC name of methyl(3-propoxypropyl)azanide?
The IUPAC name of methyl(3-propoxypropyl)azanide (CID 155624789) is methyl(3-propoxypropyl)azanide.
What is the SMILES notation for methyl(3-propoxypropyl)azanide?
The canonical SMILES for methyl(3-propoxypropyl)azanide is CCCOCCC[N-]C.
What is the InChIKey of methyl(3-propoxypropyl)azanide?
The InChIKey is KHMHQSAPARIZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO/c1-3-6-9-7-4-5-8-2/h3-7H2,1-2H3/q-1.
What are the key properties of methyl(3-propoxypropyl)azanide?
methyl(3-propoxypropyl)azanide has a molecular weight of 130.21 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(3-propoxypropyl)azanide is sourced from PubChem (CID 155624789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).