4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline

C19H31NO — CID 66685870

IUPAC4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline
SMILESC/C=C\OC(C)(CC)c1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C19H31NO/c1-6-14-20(15-7-2)18-12-10-17(11-13-18)19(5,9-4)21-16-8-3/h8,10-13,16H,6-7,9,14-15H2,1-5H3/b16-8-
InChIKeyJKISCSJJUWJBKP-PXNMLYILSA-N
MW289.46 g/mol
LogP5.49
Rot. Bonds9

About 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline

4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline (PubChem CID 66685870) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline
PubChem CID66685870
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline
SMILESC/C=C\OC(C)(CC)c1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C19H31NO/c1-6-14-20(15-7-2)18-12-10-17(11-13-18)19(5,9-4)21-16-8-3/h8,10-13,16H,6-7,9,14-15H2,1-5H3/b16-8-
InChIKeyJKISCSJJUWJBKP-PXNMLYILSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline?
The IUPAC name of 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline (CID 66685870) is 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline.
What is the SMILES notation for 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline?
The canonical SMILES for 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline is C/C=C\OC(C)(CC)c1ccc(N(CCC)CCC)cc1.
What is the InChIKey of 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline?
The InChIKey is JKISCSJJUWJBKP-PXNMLYILSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-14-20(15-7-2)18-12-10-17(11-13-18)19(5,9-4)21-16-8-3/h8,10-13,16H,6-7,9,14-15H2,1-5H3/b16-8-.
What are the key properties of 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline?
4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline has a molecular weight of 289.46 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-prop-1-enoxy]butan-2-yl]-N,N-dipropylaniline is sourced from PubChem (CID 66685870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).