4-(3-but-1-enoxypropyl)-N,N-dipropylaniline

C19H31NO — CID 66685872

IUPAC4-(3-but-1-enoxypropyl)-N,N-dipropylaniline
SMILESCCC=COCCCc1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-16-21-17-8-9-18-10-12-19(13-11-18)20(14-5-2)15-6-3/h7,10-13,16H,4-6,8-9,14-15,17H2,1-3H3
InChIKeyKWPQUMJBAGGFSS-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.19
Rot. Bonds11

About 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline

4-(3-but-1-enoxypropyl)-N,N-dipropylaniline (PubChem CID 66685872) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline.

Molecular Properties

Compound Name4-(3-but-1-enoxypropyl)-N,N-dipropylaniline
PubChem CID66685872
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-(3-but-1-enoxypropyl)-N,N-dipropylaniline
SMILESCCC=COCCCc1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C19H31NO/c1-4-7-16-21-17-8-9-18-10-12-19(13-11-18)20(14-5-2)15-6-3/h7,10-13,16H,4-6,8-9,14-15,17H2,1-3H3
InChIKeyKWPQUMJBAGGFSS-UHFFFAOYSA-N
XLogP5.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-[3-(4-methylpiperazin-1-yl)propyl]-N,N-dipropylaniline
CID 170863447
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
N,4-dibutyl-N-octylaniline
CID 175203597
propan-2-yl 4-[4-(dipropylamino)phenyl]butanoate
CID 90448513
4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117
4-[[4-(dipropylamino)phenyl]-propoxymethyl]-N,N-dipropylaniline
CID 139775188
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
4-N-[4-[bis[4-(dibutylamino)phenyl]methyl]phenyl]-1-N,1-N-dibutyl-4-N-(4-butylphenyl)benzene-1,4-diamine
CID 22095487
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
ethane;4-methyl-N,N-dipropylaniline
CID 143993396

Frequently Asked Questions

What is the IUPAC name of 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline?
The IUPAC name of 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline (CID 66685872) is 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline.
What is the SMILES notation for 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline?
The canonical SMILES for 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline is CCC=COCCCc1ccc(N(CCC)CCC)cc1.
What is the InChIKey of 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline?
The InChIKey is KWPQUMJBAGGFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-16-21-17-8-9-18-10-12-19(13-11-18)20(14-5-2)15-6-3/h7,10-13,16H,4-6,8-9,14-15,17H2,1-3H3.
What are the key properties of 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline?
4-(3-but-1-enoxypropyl)-N,N-dipropylaniline has a molecular weight of 289.46 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-but-1-enoxypropyl)-N,N-dipropylaniline is sourced from PubChem (CID 66685872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).