(E)-3-propoxy-N-propylbut-2-en-2-amine

C10H21NO — CID 145202328

IUPAC(E)-3-propoxy-N-propylbut-2-en-2-amine
SMILESCCCN/C(C)=C(\C)OCCC
InChIInChI=1S/C10H21NO/c1-5-7-11-9(3)10(4)12-8-6-2/h11H,5-8H2,1-4H3/b10-9+
InChIKeyJMYFRAHAOVXXPT-MDZDMXLPSA-N
MW171.28 g/mol
LogP2.66
Rot. Bonds6

About (E)-3-propoxy-N-propylbut-2-en-2-amine

(E)-3-propoxy-N-propylbut-2-en-2-amine (PubChem CID 145202328) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-3-propoxy-N-propylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-propoxy-N-propylbut-2-en-2-amine
PubChem CID145202328
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-3-propoxy-N-propylbut-2-en-2-amine
SMILESCCCN/C(C)=C(\C)OCCC
InChIInChI=1S/C10H21NO/c1-5-7-11-9(3)10(4)12-8-6-2/h11H,5-8H2,1-4H3/b10-9+
InChIKeyJMYFRAHAOVXXPT-MDZDMXLPSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,4,5-Trimethyl-2,3-dihydro-1,3-oxazole
CID 21337713
5,6-dimethyl-3,4-dihydro-2H-1,4-oxazine;ethane
CID 91088359
(2Z)-2,3-dimethyl-5,6,7,8-tetrahydro-4H-1,4-oxazocine
CID 118586817
N-ethyl-3-methoxybut-2-en-2-amine
CID 140101396
ethane;(Z)-N-ethyl-3-methoxybut-2-en-2-amine
CID 141784323
(Z)-3-ethoxy-N-methylbut-2-en-2-amine
CID 142107296
2,3-Dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 143188807
2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
CID 143529597
ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
CID 143529606
ethane;(Z)-3-ethoxy-N-methylbut-2-en-2-amine
CID 143610027
Ethane;2,4,5-trimethyl-2,3-dihydro-1,3-oxazole
CID 144496950
2,3,5-Trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 167142299

Frequently Asked Questions

What is the IUPAC name of (E)-3-propoxy-N-propylbut-2-en-2-amine?
The IUPAC name of (E)-3-propoxy-N-propylbut-2-en-2-amine (CID 145202328) is (E)-3-propoxy-N-propylbut-2-en-2-amine.
What is the SMILES notation for (E)-3-propoxy-N-propylbut-2-en-2-amine?
The canonical SMILES for (E)-3-propoxy-N-propylbut-2-en-2-amine is CCCN/C(C)=C(\C)OCCC.
What is the InChIKey of (E)-3-propoxy-N-propylbut-2-en-2-amine?
The InChIKey is JMYFRAHAOVXXPT-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-11-9(3)10(4)12-8-6-2/h11H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-3-propoxy-N-propylbut-2-en-2-amine?
(E)-3-propoxy-N-propylbut-2-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-propoxy-N-propylbut-2-en-2-amine is sourced from PubChem (CID 145202328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).