N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine

C9H21NO — CID 118684034

IUPACN-(3-methoxypropyl)-N,2-dimethylpropan-2-amine
SMILESCOCCCN(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)10(4)7-6-8-11-5/h6-8H2,1-5H3
InChIKeyPZVSZDLDKBPMKQ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds4

About N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine

N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine (PubChem CID 118684034) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N,2-dimethylpropan-2-amine
PubChem CID118684034
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(3-methoxypropyl)-N,2-dimethylpropan-2-amine
SMILESCOCCCN(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)10(4)7-6-8-11-5/h6-8H2,1-5H3
InChIKeyPZVSZDLDKBPMKQ-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine (CID 118684034) is N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine is COCCCN(C)C(C)(C)C.
What is the InChIKey of N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine?
The InChIKey is PZVSZDLDKBPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)10(4)7-6-8-11-5/h6-8H2,1-5H3.
What are the key properties of N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine?
N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 118684034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).