N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine

C19H31NO — CID 70406880

IUPACN-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOCC=Cc1ccccc1
InChIInChI=1S/C19H31NO/c1-3-5-14-20(15-6-4-2)16-18-21-17-10-13-19-11-8-7-9-12-19/h7-13H,3-6,14-18H2,1-2H3
InChIKeyIVNQZTAKCPLGIP-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.62
Rot. Bonds12

About N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine

N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine (PubChem CID 70406880) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
PubChem CID70406880
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOCC=Cc1ccccc1
InChIInChI=1S/C19H31NO/c1-3-5-14-20(15-6-4-2)16-18-21-17-10-13-19-11-8-7-9-12-19/h7-13H,3-6,14-18H2,1-2H3
InChIKeyIVNQZTAKCPLGIP-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
CID 70407651
N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70684171
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
N',N'-dibutyl-N-[(E)-3-phenylprop-2-enyl]propane-1,3-diamine;dihydrochloride
CID 17214509

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine (CID 70406880) is N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine is CCCCN(CCCC)CCOCC=Cc1ccccc1.
What is the InChIKey of N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine?
The InChIKey is IVNQZTAKCPLGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-14-20(15-6-4-2)16-18-21-17-10-13-19-11-8-7-9-12-19/h7-13H,3-6,14-18H2,1-2H3.
What are the key properties of N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine?
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine is sourced from PubChem (CID 70406880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).