N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine

C18H27NO — CID 134925894

IUPACN-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCC(C)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C18H27NO/c1-5-11-16(4)19(15-7-3)20-18(12-6-2)17-13-9-8-10-14-17/h5,7-10,13-14,16,18H,1,3,6,11-12,15H2,2,4H3
InChIKeyJHSYPCKGOMMLGN-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.91
Rot. Bonds10

About N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine

N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine (PubChem CID 134925894) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine.

Molecular Properties

Compound NameN-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
PubChem CID134925894
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCC(C)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C18H27NO/c1-5-11-16(4)19(15-7-3)20-18(12-6-2)17-13-9-8-10-14-17/h5,7-10,13-14,16,18H,1,3,6,11-12,15H2,2,4H3
InChIKeyJHSYPCKGOMMLGN-UHFFFAOYSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
CID 6712809
2,2,6,6-Tetramethyl-1-(1-phenylethoxy)piperidine
CID 4172562
((Benzyloxy)(bis(propan-2-yl)amino)phosphanyl)bis(propan-2-yl)amine
CID 4590859
3-[Di(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 23137658
Methylephedrine-N-oxide
CID 13509426
Sedinine
CID 46934734
(2S)-1-[(2S,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]propan-2-ol
CID 162873148
(2S)-1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-2-yl]propan-2-ol
CID 162873149
Sedinine Hydrochloride
CID 433994
2-Methyl-6-phenyloxazinane
CID 548191
(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
CID 10708581
(4R)-5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
CID 10968223

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
The IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine (CID 134925894) is N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine.
What is the SMILES notation for N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
The canonical SMILES for N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine is C=CCC(C)N(CC=C)OC(CCC)c1ccccc1.
What is the InChIKey of N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
The InChIKey is JHSYPCKGOMMLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-11-16(4)19(15-7-3)20-18(12-6-2)17-13-9-8-10-14-17/h5,7-10,13-14,16,18H,1,3,6,11-12,15H2,2,4H3.
What are the key properties of N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine is sourced from PubChem (CID 134925894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).