N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine

C19H29NO — CID 134926128

IUPACN-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine
SMILESC=CCCC(C)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C19H29NO/c1-5-8-13-17(4)20(16-7-3)21-19(12-6-2)18-14-10-9-11-15-18/h5,7,9-11,14-15,17,19H,1,3,6,8,12-13,16H2,2,4H3
InChIKeyWPQWFYMPLUJRKD-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.30
Rot. Bonds11

About N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine

N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine (PubChem CID 134926128) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine.

Molecular Properties

Compound NameN-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine
PubChem CID134926128
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine
SMILESC=CCCC(C)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C19H29NO/c1-5-8-13-17(4)20(16-7-3)21-19(12-6-2)18-14-10-9-11-15-18/h5,7,9-11,14-15,17,19H,1,3,6,8,12-13,16H2,2,4H3
InChIKeyWPQWFYMPLUJRKD-UHFFFAOYSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.30
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
(1R,2S)-(+)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 9903376
2,2,6,6-Tetramethyl-1-(1-phenylethoxy)piperidine
CID 4172562
(1S,2R)-(-)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 11003877
3-[Di(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 23137658
Methylephedrine-N-oxide
CID 13509426
Benzeneethanamine, N-ethyl-alpha-methyl-N-(phenylmethoxy)-3-(trifluoromethyl)-
CID 13394778
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
2-Methyl-6-(4-methylphenyl)-1,2-oxazinane
CID 284896
(1R)-2-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
CID 10822654

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine?
The IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine (CID 134926128) is N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine.
What is the SMILES notation for N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine?
The canonical SMILES for N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine is C=CCCC(C)N(CC=C)OC(CCC)c1ccccc1.
What is the InChIKey of N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine?
The InChIKey is WPQWFYMPLUJRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-8-13-17(4)20(16-7-3)21-19(12-6-2)18-14-10-9-11-15-18/h5,7,9-11,14-15,17,19H,1,3,6,8,12-13,16H2,2,4H3.
What are the key properties of N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine?
N-(1-phenylbutoxy)-N-prop-2-enylhex-5-en-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.30, 11 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-enylhex-5-en-2-amine is sourced from PubChem (CID 134926128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).