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

C19H29NO — CID 134926495

IUPACN-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(=C)CCCC
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/h7,9-11,14-15,19H,3-6,8,12-13,16H2,1-2H3
InChIKeyCIMWBSNKLITUQK-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.65
Rot. Bonds11

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

N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine (PubChem CID 134926495) 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-1-en-2-amine.

Molecular Properties

Compound NameN-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine
PubChem CID134926495
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(=C)CCCC
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/h7,9-11,14-15,19H,3-6,8,12-13,16H2,1-2H3
InChIKeyCIMWBSNKLITUQK-UHFFFAOYSA-N
XLogP5.65
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 ≤ 55.65
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
2-Methyl-6-(4-methylphenyl)-1,2-oxazinane
CID 284896
2-Methyl-6-phenyloxazinane
CID 548191
(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
CID 10708581
3,3-Dibutyl-1-phenylmethoxyazetidine
CID 13917886
2,2,6,6-Tetramethyl-1-[(1-phenylhex-5-EN-1-YL)oxy]piperidine
CID 15519061
N-(1-phenylethoxy)hexan-2-amine
CID 134926239
N-ethyl-N-phenylmethoxyethanamine
CID 274251
2-Methyl-5-phenylisoxazolidine
CID 11051981
Piperidine, 2,2,6,6-tetramethyl-1-(1-phenylpropoxy)-
CID 11129539
2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine?
The IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine (CID 134926495) is N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine.
What is the SMILES notation for N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine?
The canonical SMILES for N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine is C=CCN(OC(CCC)c1ccccc1)C(=C)CCCC.
What is the InChIKey of N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine?
The InChIKey is CIMWBSNKLITUQK-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/h7,9-11,14-15,19H,3-6,8,12-13,16H2,1-2H3.
What are the key properties of N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine?
N-(1-phenylbutoxy)-N-prop-2-enylhex-1-en-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.65, 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-1-en-2-amine is sourced from PubChem (CID 134926495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).