N-propan-2-yloxyethanamine

C5H13NO — CID 22271690

IUPACN-propan-2-yloxyethanamine
SMILESCCNOC(C)C
InChIInChI=1S/C5H13NO/c1-4-6-7-5(2)3/h5-6H,4H2,1-3H3
InChIKeyFOGKWZGOCWAFPT-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.94
Rot. Bonds3

About N-propan-2-yloxyethanamine

N-propan-2-yloxyethanamine (PubChem CID 22271690) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is N-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-propan-2-yloxyethanamine
PubChem CID22271690
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameN-propan-2-yloxyethanamine
SMILESCCNOC(C)C
InChIInChI=1S/C5H13NO/c1-4-6-7-5(2)3/h5-6H,4H2,1-3H3
InChIKeyFOGKWZGOCWAFPT-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethanamine, N-ethoxy-
CID 99453
Ethoxy(propan-2-yl)amine
CID 14849020
Ethoxy(ethyl)amine hydrochloride
CID 22415890
N-Ethoxypropane-1,3-diamine
CID 3018228
1-Propanamine, N-methoxy-
CID 11815284
N-ethoxypropan-1-amine
CID 18936580
N-propoxypropan-1-amine
CID 20470531
N-isopropoxymethanamine
CID 20693488
Isopropoxy propylamine
CID 21895890
N-propoxybutan-1-amine
CID 22322685
N-propan-2-yloxypropan-2-amine
CID 22415898
N-propoxypropan-2-amine
CID 53716767

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxyethanamine?
The IUPAC name of N-propan-2-yloxyethanamine (CID 22271690) is N-propan-2-yloxyethanamine.
What is the SMILES notation for N-propan-2-yloxyethanamine?
The canonical SMILES for N-propan-2-yloxyethanamine is CCNOC(C)C.
What is the InChIKey of N-propan-2-yloxyethanamine?
The InChIKey is FOGKWZGOCWAFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4-6-7-5(2)3/h5-6H,4H2,1-3H3.
What are the key properties of N-propan-2-yloxyethanamine?
N-propan-2-yloxyethanamine has a molecular weight of 103.16 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxyethanamine is sourced from PubChem (CID 22271690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).