ethane;4-propoxy-N-propylbut-1-en-2-amine

C12H27NO — CID 156737122

IUPACethane;4-propoxy-N-propylbut-1-en-2-amine
SMILESC=C(CCOCCC)NCCC.CC
InChIInChI=1S/C10H21NO.C2H6/c1-4-7-11-10(3)6-9-12-8-5-2;1-2/h11H,3-9H2,1-2H3;1-2H3
InChIKeyCMDYZPWQTVOUBX-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.34
Rot. Bonds8

About ethane;4-propoxy-N-propylbut-1-en-2-amine

ethane;4-propoxy-N-propylbut-1-en-2-amine (PubChem CID 156737122) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;4-propoxy-N-propylbut-1-en-2-amine.

Molecular Properties

Compound Nameethane;4-propoxy-N-propylbut-1-en-2-amine
PubChem CID156737122
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;4-propoxy-N-propylbut-1-en-2-amine
SMILESC=C(CCOCCC)NCCC.CC
InChIInChI=1S/C10H21NO.C2H6/c1-4-7-11-10(3)6-9-12-8-5-2;1-2/h11H,3-9H2,1-2H3;1-2H3
InChIKeyCMDYZPWQTVOUBX-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propoxy-N-propylbut-1-en-2-amine?
The IUPAC name of ethane;4-propoxy-N-propylbut-1-en-2-amine (CID 156737122) is ethane;4-propoxy-N-propylbut-1-en-2-amine.
What is the SMILES notation for ethane;4-propoxy-N-propylbut-1-en-2-amine?
The canonical SMILES for ethane;4-propoxy-N-propylbut-1-en-2-amine is C=C(CCOCCC)NCCC.CC.
What is the InChIKey of ethane;4-propoxy-N-propylbut-1-en-2-amine?
The InChIKey is CMDYZPWQTVOUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-4-7-11-10(3)6-9-12-8-5-2;1-2/h11H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propoxy-N-propylbut-1-en-2-amine?
ethane;4-propoxy-N-propylbut-1-en-2-amine has a molecular weight of 201.35 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propoxy-N-propylbut-1-en-2-amine is sourced from PubChem (CID 156737122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).