N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine

C17H27NO — CID 105039459

IUPACN-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cccc(OCCC)c1
InChIInChI=1S/C17H27NO/c1-5-12-19-16-9-7-8-15(13-16)17(18-6-2)11-10-14(3)4/h7-9,13,17-18H,3,5-6,10-12H2,1-2,4H3
InChIKeyZETNPKWPJPREIX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.48
Rot. Bonds9

About N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine

N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine (PubChem CID 105039459) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
PubChem CID105039459
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cccc(OCCC)c1
InChIInChI=1S/C17H27NO/c1-5-12-19-16-9-7-8-15(13-16)17(18-6-2)11-10-14(3)4/h7-9,13,17-18H,3,5-6,10-12H2,1-2,4H3
InChIKeyZETNPKWPJPREIX-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
CID 105005311
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039354
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine (CID 105039459) is N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine is C=C(C)CCC(NCC)c1cccc(OCCC)c1.
What is the InChIKey of N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine?
The InChIKey is ZETNPKWPJPREIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-12-19-16-9-7-8-15(13-16)17(18-6-2)11-10-14(3)4/h7-9,13,17-18H,3,5-6,10-12H2,1-2,4H3.
What are the key properties of N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine?
N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(3-propoxyphenyl)pent-4-en-1-amine is sourced from PubChem (CID 105039459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).