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

C21H33NO — CID 134925997

IUPACN-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine
SMILESC=CCC(CCCC)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C21H33NO/c1-5-9-17-20(13-6-2)22(18-8-4)23-21(14-7-3)19-15-11-10-12-16-19/h6,8,10-12,15-16,20-21H,2,4-5,7,9,13-14,17-18H2,1,3H3
InChIKeyYBBYTRREONQWDI-UHFFFAOYSA-N
MW315.50 g/mol
LogP6.08
Rot. Bonds13

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

N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine (PubChem CID 134925997) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine.

Molecular Properties

Compound NameN-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine
PubChem CID134925997
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC NameN-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine
SMILESC=CCC(CCCC)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C21H33NO/c1-5-9-17-20(13-6-2)22(18-8-4)23-21(14-7-3)19-15-11-10-12-16-19/h6,8,10-12,15-16,20-21H,2,4-5,7,9,13-14,17-18H2,1,3H3
InChIKeyYBBYTRREONQWDI-UHFFFAOYSA-N
XLogP6.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 56.08
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-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
CID 86216645
(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine
CID 134926120
oct-1-en-4-ylbenzene
CID 22247233
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
CID 101004910
N-hept-1-en-4-yl-N-phenylhydroxylamine
CID 134935898
1-(1-phenylpentoxy)prop-2-enylbenzene
CID 173002800
[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043
(5R)-7-phenyldec-9-en-5-ol
CID 134965025
ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
CID 175241821
1-pentoxybutylbenzene
CID 173061669
(3R)-N-[(1S)-1-phenylbutoxy]hepta-1,6-dien-3-amine
CID 11402703

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine?
The IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine (CID 134925997) is N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine.
What is the SMILES notation for N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine?
The canonical SMILES for N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine is C=CCC(CCCC)N(CC=C)OC(CCC)c1ccccc1.
What is the InChIKey of N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine?
The InChIKey is YBBYTRREONQWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-5-9-17-20(13-6-2)22(18-8-4)23-21(14-7-3)19-15-11-10-12-16-19/h6,8,10-12,15-16,20-21H,2,4-5,7,9,13-14,17-18H2,1,3H3.
What are the key properties of N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine?
N-(1-phenylbutoxy)-N-prop-2-enyloct-1-en-4-amine has a molecular weight of 315.50 g/mol, XLogP of 6.08, 13 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-enyloct-1-en-4-amine is sourced from PubChem (CID 134925997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).