N,N-bis(ethoxymethyl)propan-1-amine

C9H21NO2 — CID 91453246

IUPACN,N-bis(ethoxymethyl)propan-1-amine
SMILESCCCN(COCC)COCC
InChIInChI=1S/C9H21NO2/c1-4-7-10(8-11-5-2)9-12-6-3/h4-9H2,1-3H3
InChIKeyCEULGUKGXGTERV-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.69
Rot. Bonds8

About N,N-bis(ethoxymethyl)propan-1-amine

N,N-bis(ethoxymethyl)propan-1-amine (PubChem CID 91453246) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N,N-bis(ethoxymethyl)propan-1-amine.

Molecular Properties

Compound NameN,N-bis(ethoxymethyl)propan-1-amine
PubChem CID91453246
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN,N-bis(ethoxymethyl)propan-1-amine
SMILESCCCN(COCC)COCC
InChIInChI=1S/C9H21NO2/c1-4-7-10(8-11-5-2)9-12-6-3/h4-9H2,1-3H3
InChIKeyCEULGUKGXGTERV-UHFFFAOYSA-N
XLogP1.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 21821969
CID 21821969
CID 12398978
CID 12398978
CID 15778651
CID 15778651
CID 15635555
CID 15635555
CID 12610255
CID 12610255
CID 22062441
CID 22062441
CID 22138601
CID 22138601
CID 90894522
CID 90894522
CID 129849207
CID 129849207
CID 321386
CID 321386
CID 328596
CID 328596
CID 21822625
CID 21822625

Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethoxymethyl)propan-1-amine?
The IUPAC name of N,N-bis(ethoxymethyl)propan-1-amine (CID 91453246) is N,N-bis(ethoxymethyl)propan-1-amine.
What is the SMILES notation for N,N-bis(ethoxymethyl)propan-1-amine?
The canonical SMILES for N,N-bis(ethoxymethyl)propan-1-amine is CCCN(COCC)COCC.
What is the InChIKey of N,N-bis(ethoxymethyl)propan-1-amine?
The InChIKey is CEULGUKGXGTERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-7-10(8-11-5-2)9-12-6-3/h4-9H2,1-3H3.
What are the key properties of N,N-bis(ethoxymethyl)propan-1-amine?
N,N-bis(ethoxymethyl)propan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethoxymethyl)propan-1-amine is sourced from PubChem (CID 91453246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).