N-propoxyprop-1-en-1-amine

C6H13NO — CID 76504451

IUPACN-propoxyprop-1-en-1-amine
SMILESCC=CNOCCC
InChIInChI=1S/C6H13NO/c1-3-5-7-8-6-4-2/h3,5,7H,4,6H2,1-2H3
InChIKeyAKFOAVGYKJVSNB-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.45
Rot. Bonds4

About N-propoxyprop-1-en-1-amine

N-propoxyprop-1-en-1-amine (PubChem CID 76504451) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-propoxyprop-1-en-1-amine.

Molecular Properties

Compound NameN-propoxyprop-1-en-1-amine
PubChem CID76504451
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-propoxyprop-1-en-1-amine
SMILESCC=CNOCCC
InChIInChI=1S/C6H13NO/c1-3-5-7-8-6-4-2/h3,5,7H,4,6H2,1-2H3
InChIKeyAKFOAVGYKJVSNB-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dipropoxyhydrazine
CID 151105951
N-(3,3-dichloroprop-2-enoxy)prop-1-en-1-amine
CID 57060421
(prop-1-enylamino) butanoate
CID 175361993
(prop-1-enylamino) hypoiodite
CID 126570367
1-(iodoamino)oxypropane
CID 88548400
1-(methylsulfanylamino)oxypropane
CID 130298845
6-propoxyhex-2-ene
CID 90940271
2-(propoxyamino)guanidine
CID 118626334
(E)-7-propoxyhept-2-ene
CID 173027066
N-ethylprop-1-en-1-amine;hydrochloride
CID 155653050
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
acetic acid;1-(propoxyamino)oxypropane
CID 173174006

Frequently Asked Questions

What is the IUPAC name of N-propoxyprop-1-en-1-amine?
The IUPAC name of N-propoxyprop-1-en-1-amine (CID 76504451) is N-propoxyprop-1-en-1-amine.
What is the SMILES notation for N-propoxyprop-1-en-1-amine?
The canonical SMILES for N-propoxyprop-1-en-1-amine is CC=CNOCCC.
What is the InChIKey of N-propoxyprop-1-en-1-amine?
The InChIKey is AKFOAVGYKJVSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5-7-8-6-4-2/h3,5,7H,4,6H2,1-2H3.
What are the key properties of N-propoxyprop-1-en-1-amine?
N-propoxyprop-1-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxyprop-1-en-1-amine is sourced from PubChem (CID 76504451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).