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

C20H31NO — CID 86216645

IUPACN-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
SMILESC=CCC(CCC)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C20H31NO/c1-5-12-19(13-6-2)21(17-8-4)22-20(14-7-3)18-15-10-9-11-16-18/h5,8-11,15-16,19-20H,1,4,6-7,12-14,17H2,2-3H3
InChIKeyUZSINNHVEQOYEZ-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.69
Rot. Bonds12

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

N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine (PubChem CID 86216645) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine.

Molecular Properties

Compound NameN-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
PubChem CID86216645
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine
SMILESC=CCC(CCC)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C20H31NO/c1-5-12-19(13-6-2)21(17-8-4)22-20(14-7-3)18-15-10-9-11-16-18/h5,8-11,15-16,19-20H,1,4,6-7,12-14,17H2,2-3H3
InChIKeyUZSINNHVEQOYEZ-UHFFFAOYSA-N
XLogP5.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.69
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-enyloct-1-en-4-amine
CID 134925997
(E)-8-phenyl-N-(1-phenylbutoxy)-N-prop-2-enyloct-7-en-4-amine
CID 134926120
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
N-hept-1-en-4-yl-N-phenylhydroxylamine
CID 134935898
5-ethyl-N-[(1R)-1-phenylbutoxy]hept-1-en-4-amine
CID 101004910
oct-1-en-4-ylbenzene
CID 22247233
(3R)-N-[(1S)-1-phenylbutoxy]hepta-1,6-dien-3-amine
CID 11402703
N-tert-butyl-2-methyl-N-(1-phenylhex-5-enoxy)propan-2-amine
CID 101115753
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
(E)-4-oxo-4-(1-phenylbut-3-enoxy)but-2-enoic acid
CID 18458468
1-pentoxybutylbenzene
CID 173061669
CID 10779896
CID 10779896

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine?
The IUPAC name of N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine (CID 86216645) is N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine.
What is the SMILES notation for N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine?
The canonical SMILES for N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine is C=CCC(CCC)N(CC=C)OC(CCC)c1ccccc1.
What is the InChIKey of N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine?
The InChIKey is UZSINNHVEQOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-5-12-19(13-6-2)21(17-8-4)22-20(14-7-3)18-15-10-9-11-16-18/h5,8-11,15-16,19-20H,1,4,6-7,12-14,17H2,2-3H3.
What are the key properties of N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine?
N-(1-phenylbutoxy)-N-prop-2-enylhept-1-en-4-amine has a molecular weight of 301.47 g/mol, XLogP of 5.69, 12 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-enylhept-1-en-4-amine is sourced from PubChem (CID 86216645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).