methanidyl(3-propan-2-yloxypropyl)azanium

C7H17NO — CID 20723367

IUPACmethanidyl(3-propan-2-yloxypropyl)azanium
SMILES[CH2-][NH2+]CCCOC(C)C
InChIInChI=1S/C7H17NO/c1-7(2)9-6-4-5-8-3/h7H,3-6,8H2,1-2H3
InChIKeyDSWFPGQKZQTUQS-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.16
Rot. Bonds5

About methanidyl(3-propan-2-yloxypropyl)azanium

methanidyl(3-propan-2-yloxypropyl)azanium (PubChem CID 20723367) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is methanidyl(3-propan-2-yloxypropyl)azanium.

Molecular Properties

Compound Namemethanidyl(3-propan-2-yloxypropyl)azanium
PubChem CID20723367
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Namemethanidyl(3-propan-2-yloxypropyl)azanium
SMILES[CH2-][NH2+]CCCOC(C)C
InChIInChI=1S/C7H17NO/c1-7(2)9-6-4-5-8-3/h7H,3-6,8H2,1-2H3
InChIKeyDSWFPGQKZQTUQS-UHFFFAOYSA-N
XLogP0.16
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-Methoxypropyl)(methyl)amine
CID 12545984
3-(Propan-2-yloxy)propan-1-amine hydrochloride
CID 18670799
[3-(2-Methoxyethoxy)propyl](methyl)amine
CID 58311479
Methyl[3-(propan-2-yloxy)propyl]amine
CID 19842664
3-Ethoxy-n-ethylpropan-1-amine
CID 254952
Methyl[3-(propan-2-yloxy)propyl]amine hydrochloride
CID 121552453
N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine
CID 135175069
2-fluoro-3-methoxy-N-methylbutan-1-amine
CID 143945286
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275874
3-ethoxy-N-(2-fluoroethyl)propan-1-amine
CID 80693855
N-(2-fluoroethyl)-3-methoxybutan-1-amine
CID 131114109
4-fluoro-3-methoxy-N-methylbutan-1-amine
CID 145490697

Frequently Asked Questions

What is the IUPAC name of methanidyl(3-propan-2-yloxypropyl)azanium?
The IUPAC name of methanidyl(3-propan-2-yloxypropyl)azanium (CID 20723367) is methanidyl(3-propan-2-yloxypropyl)azanium.
What is the SMILES notation for methanidyl(3-propan-2-yloxypropyl)azanium?
The canonical SMILES for methanidyl(3-propan-2-yloxypropyl)azanium is [CH2-][NH2+]CCCOC(C)C.
What is the InChIKey of methanidyl(3-propan-2-yloxypropyl)azanium?
The InChIKey is DSWFPGQKZQTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2)9-6-4-5-8-3/h7H,3-6,8H2,1-2H3.
What are the key properties of methanidyl(3-propan-2-yloxypropyl)azanium?
methanidyl(3-propan-2-yloxypropyl)azanium has a molecular weight of 131.22 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(3-propan-2-yloxypropyl)azanium is sourced from PubChem (CID 20723367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).