N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine

C15H23N — CID 61380125

IUPACN-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
SMILESC=CCC(NCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23N/c1-5-7-15(16-6-2)14-10-8-13(9-11-14)12(3)4/h5,8-12,15-16H,1,6-7H2,2-4H3
InChIKeyNWKCYCUAAUIOAZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.04
Rot. Bonds6

About N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine

N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine (PubChem CID 61380125) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
PubChem CID61380125
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
SMILESC=CCC(NCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23N/c1-5-7-15(16-6-2)14-10-8-13(9-11-14)12(3)4/h5,8-12,15-16H,1,6-7H2,2-4H3
InChIKeyNWKCYCUAAUIOAZ-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
CID 116660811
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205
N-ethyl-1-thiophen-3-ylbut-3-en-1-amine
CID 61380819
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
1-(2,6-dichlorophenyl)-N-ethylbut-3-en-1-amine
CID 115814034
1-(4-bromophenyl)-N-butylbut-3-en-1-amine
CID 177091582
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine
CID 55181079
N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
CID 102574540
1-(3-chloro-2-methylphenyl)-N-ethylbut-3-en-1-amine
CID 107102109
1-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 116660748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine (CID 61380125) is N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine is C=CCC(NCC)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine?
The InChIKey is NWKCYCUAAUIOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-7-15(16-6-2)14-10-8-13(9-11-14)12(3)4/h5,8-12,15-16H,1,6-7H2,2-4H3.
What are the key properties of N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine?
N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine is sourced from PubChem (CID 61380125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).