N-ethoxypropan-2-amine;hydrochloride

C5H14ClNO — CID 122163408

IUPACN-ethoxypropan-2-amine;hydrochloride
SMILESCCONC(C)C.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4-7-6-5(2)3;/h5-6H,4H2,1-3H3;1H
InChIKeyFNGAAKWIDNYABD-UHFFFAOYSA-N
MW139.63 g/mol
LogP1.36
Rot. Bonds3

About N-ethoxypropan-2-amine;hydrochloride

N-ethoxypropan-2-amine;hydrochloride (PubChem CID 122163408) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is N-ethoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethoxypropan-2-amine;hydrochloride
PubChem CID122163408
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC NameN-ethoxypropan-2-amine;hydrochloride
SMILESCCONC(C)C.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4-7-6-5(2)3;/h5-6H,4H2,1-3H3;1H
InChIKeyFNGAAKWIDNYABD-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 51.36
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
Methoxy(propan-2-YL)amine
CID 12651820
(Butan-2-yl)(methoxy)amine hydrochloride
CID 71756556
Methoxy(propan-2-yl)amine hydrochloride
CID 71756557
N-ethoxypropan-1-amine
CID 18936580
N-propoxypropan-1-amine
CID 20470531
N-propan-2-yloxypropan-2-amine
CID 22415898
N-propoxypropan-2-amine
CID 53716767
N-propoxyethanamine
CID 53968086
N-ethoxybutan-1-amine
CID 60776447

Frequently Asked Questions

What is the IUPAC name of N-ethoxypropan-2-amine;hydrochloride?
The IUPAC name of N-ethoxypropan-2-amine;hydrochloride (CID 122163408) is N-ethoxypropan-2-amine;hydrochloride.
What is the SMILES notation for N-ethoxypropan-2-amine;hydrochloride?
The canonical SMILES for N-ethoxypropan-2-amine;hydrochloride is CCONC(C)C.Cl.
What is the InChIKey of N-ethoxypropan-2-amine;hydrochloride?
The InChIKey is FNGAAKWIDNYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-4-7-6-5(2)3;/h5-6H,4H2,1-3H3;1H.
What are the key properties of N-ethoxypropan-2-amine;hydrochloride?
N-ethoxypropan-2-amine;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 122163408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).