N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine

C9H21NO — CID 21465875

IUPACN-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine
SMILESCOC(C)N(C(C)C)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)10(8(3)4)9(5)11-6/h7-9H,1-6H3
InChIKeyLWULOPFOWPVBTP-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.10
Rot. Bonds4

About N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine

N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 21465875) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine
PubChem CID21465875
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine
SMILESCOC(C)N(C(C)C)C(C)C
InChIInChI=1S/C9H21NO/c1-7(2)10(8(3)4)9(5)11-6/h7-9H,1-6H3
InChIKeyLWULOPFOWPVBTP-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine (CID 21465875) is N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine is COC(C)N(C(C)C)C(C)C.
What is the InChIKey of N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is LWULOPFOWPVBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)10(8(3)4)9(5)11-6/h7-9H,1-6H3.
What are the key properties of N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine?
N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 21465875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).